 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer07_M11-augccpVDZr.in
 Output=26_junionone_conformer07_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/Gau-259168.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    259196.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=26_junionone_conformer07_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer07_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.753212000000      0.261201000000      1.693960000000
  C                                                -1.991275000000      0.379275000000      0.192703000000
  C                                                -0.849009000000     -0.284062000000     -0.673672000000
  C                                                 0.523957000000     -0.362760000000     -0.129190000000
  C                                                 1.600074000000      0.202273000000     -0.683932000000
  C                                                 2.971335000000      0.145334000000     -0.139740000000
  O                                                 3.879212000000      0.705568000000     -0.725256000000
  C                                                -2.328795000000      1.809261000000     -0.188051000000
  C                                                -2.945679000000     -0.733150000000     -0.326549000000
  C                                                -1.715204000000     -1.570236000000     -0.737989000000
  C                                                 3.228267000000     -0.612295000000      1.146957000000
  H                                                -3.520012000000     -0.399442000000     -1.191692000000
  H                                                -3.631250000000     -1.169043000000      0.400509000000
  H                                                -0.830366000000      0.203561000000     -1.650261000000
  H                                                -1.427501000000     -2.287210000000      0.031723000000
  H                                                -1.746461000000     -2.086631000000     -1.696096000000
  H                                                -1.522157000000     -0.762423000000      1.994493000000
  H                                                -2.649402000000      0.568790000000      2.237355000000
  H                                                -0.929068000000      0.901723000000      2.015625000000
  H                                                -2.519952000000      1.897738000000     -1.259237000000
  H                                                -1.507307000000      2.484467000000      0.065367000000
  H                                                -3.220245000000      2.153813000000      0.342854000000
  H                                                 0.639748000000     -0.919587000000      0.795696000000
  H                                                 1.514703000000      0.761846000000     -1.609834000000
  H                                                 2.945548000000     -1.661881000000      1.042967000000
  H                                                 2.641207000000     -0.194560000000      1.967518000000
  H                                                 4.286065000000     -0.544744000000      1.388076000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524594   0.000000
     3  C    2.592407   1.579681   0.000000
     4  C    2.983069   2.642087   1.479084   0.000000
     5  C    4.111249   3.701028   2.496925   1.336050   0.000000
     6  C    5.069243   4.979231   3.881300   2.499586   1.476396
     7  O    6.146077   5.950776   4.830953   3.571324   2.334413
     8  C    2.503947   1.517812   2.609137   3.585991   4.273678
     9  C    2.548170   1.554992   2.172142   3.494927   4.654741
    10  C    3.044665   2.177842   1.551990   2.615813   3.759758
    11  C    5.086978   5.397910   4.477344   3.000685   2.581993
    12  H    3.447466   2.204538   2.723218   4.181380   5.180267
    13  H    2.691773   2.264948   3.110936   4.265726   5.515729
    14  H    3.469695   2.185201   1.091719   2.113899   2.615498
    15  H    3.059987   2.730183   2.201099   2.745467   3.984457
    16  H    4.123693   3.115797   2.258324   3.252956   4.178858
    17  H    1.091564   2.184031   2.793038   2.975961   4.225272
    18  H    1.092266   2.156304   3.527442   4.066759   5.169748
    19  H    1.092223   2.173541   2.940206   2.882782   3.764757
    20  H    3.462299   2.166416   2.809838   3.956291   4.492237
    21  H    2.766893   2.163856   2.940117   3.502940   3.927553
    22  H    2.749482   2.163769   3.549552   4.535969   5.300780
    23  H    2.815563   2.995484   2.186168   1.085761   2.090477
    24  H    4.673860   3.960730   2.749083   2.106804   1.085221
    25  H    5.118631   5.409389   4.386787   2.987603   2.875335
    26  H    4.426451   4.993911   4.377842   2.984497   2.876043
    27  H    6.100490   6.456603   5.539652   4.060624   3.473586
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216935   0.000000
     8  C    5.555391   6.328197   0.000000
     9  C    5.984788   6.986273   2.619844   0.000000
    10  C    5.026403   6.039614   3.478495   1.544042   0.000000
    11  C    1.515125   2.380268   6.207022   6.348499   5.376670
    12  H    6.598558   7.495807   2.702714   1.090730   2.198622
    13  H    6.753783   7.822311   3.303496   1.090240   2.264590
    14  H    4.091209   4.825740   2.638488   2.665369   2.182094
    15  H    5.029555   6.139295   4.200203   2.201891   1.090542
    16  H    5.446238   6.355085   4.217972   2.268412   1.088857
    17  H    5.056723   6.223088   3.468101   2.722959   2.855921
    18  H    6.117400   7.170675   2.743019   2.890749   3.781644
    19  H    4.520052   5.538092   2.763883   3.496471   3.782986
    20  H    5.871833   6.531134   1.091700   2.823601   3.598078
    21  H    5.056861   5.727491   1.093145   3.546205   4.138746
    22  H    6.527063   7.323972   1.093279   2.976246   4.159557
    23  H    2.728625   3.930464   4.150496   3.761579   2.884672
    24  H    2.159407   2.525183   4.229778   4.876150   4.078115
    25  H    2.159974   3.098896   6.432956   6.119205   4.990272
    26  H    2.159872   3.097405   5.776045   6.063507   5.309479
    27  H    2.130480   2.488972   7.195963   7.434619   6.448800
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.145198   0.000000
    13  H    6.922436   1.771938   0.000000
    14  H    4.996254   2.794297   3.732914   0.000000
    15  H    5.072008   3.072298   2.498562   3.064242   0.000000
    16  H    5.916463   2.499303   2.964819   2.467045   1.768425
    17  H    4.827772   3.778221   2.674771   3.833527   2.487248
    18  H    6.093515   3.667942   2.712580   4.307649   3.809802
    19  H    4.508910   4.323529   3.768084   3.733081   3.788614
    20  H    6.718040   2.506336   3.659902   2.424425   4.513736
    21  H    5.760680   3.734717   4.239291   2.933285   4.772463
    22  H    7.062665   2.993961   3.348675   3.672535   4.799314
    23  H    2.630255   4.639382   4.296490   3.066823   2.593755
    24  H    3.524835   5.183801   5.852405   2.410947   4.544009
    25  H    1.091959   6.956358   6.626456   4.999088   4.531800
    26  H    1.091999   6.926991   6.538261   5.029776   4.967985
    27  H    1.087032   8.222600   8.003057   5.997443   6.125416
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.927377   0.000000
    18  H    4.831004   1.761190   0.000000
    19  H    4.834797   1.766800   1.766227   0.000000
    20  H    4.082197   4.319585   3.742862   3.774610   0.000000
    21  H    4.904578   3.776777   3.113155   2.577391   1.767562
    22  H    4.930590   3.757106   2.535211   3.100868   1.767111
    23  H    3.642116   2.477024   3.887435   2.695660   4.705717
    24  H    4.330872   4.953492   5.672557   4.374418   4.206140
    25  H    5.449571   4.655622   6.140515   4.746660   6.916843
    26  H    6.021099   4.201999   5.352201   3.735106   6.436398
    27  H    6.948446   5.843849   7.075446   5.448275   7.700380
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766490   0.000000
    23  H    4.090331   4.954836   0.000000
    24  H    3.860863   5.307570   3.062570   0.000000
    25  H    6.162453   7.284688   2.434924   3.867703   0.000000
    26  H    5.292025   6.520047   2.429952   3.870552   1.760809
    27  H    6.669995   8.044836   3.713092   4.286617   1.778786
                   26         27
    26  H    0.000000
    27  H    1.778747   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1384318           0.4996663           0.4923175
 Leave Link  202 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       608.1382990542 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:              10.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.58D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:37 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer07_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:47:37 2021, MaxMem=  6442450944 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442092371 LenY=  6441916369
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.624363115100    
 DIIS: error= 2.37D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.624363115100     IErMin= 1 ErrMin= 2.37D-03
 ErrMax= 2.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-02 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.37D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.375 Goal=   None    Shift=    0.000
 GapD=    0.375 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.80D-02 MaxDP=6.66D+00              OVMax= 2.29D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.07D-02    CP:  1.70D+00
 E= -465.637907487301     Delta-E=       -0.013544372201 Rises=F Damp=F
 DIIS: error= 6.59D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.637907487301     IErMin= 2 ErrMin= 6.59D-04
 ErrMax= 6.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.94D-04 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.59D-03
 Coeff-Com: -0.778D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.772D-02 0.101D+01
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=6.65D-03 MaxDP=1.26D+00 DE=-1.35D-02 OVMax= 1.07D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.67D-03    CP:  1.82D+00  1.17D+00
 E= -465.638105591972     Delta-E=       -0.000198104671 Rises=F Damp=F
 DIIS: error= 7.59D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.638105591972     IErMin= 2 ErrMin= 6.59D-04
 ErrMax= 7.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.37D-04 BMatP= 5.94D-04
 IDIUse=3 WtCom= 2.66D-01 WtEn= 7.34D-01
 Coeff-Com: -0.500D-01 0.558D+00 0.492D+00
 Coeff-En:   0.000D+00 0.373D+00 0.627D+00
 Coeff:     -0.133D-01 0.423D+00 0.591D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.70D-04 MaxDP=7.82D-02 DE=-1.98D-04 OVMax= 6.93D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.11D-04    CP:  1.83D+00  1.18D+00  1.05D+00
 E= -465.638554197849     Delta-E=       -0.000448605878 Rises=F Damp=F
 DIIS: error= 3.14D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.638554197849     IErMin= 4 ErrMin= 3.14D-04
 ErrMax= 3.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-04 BMatP= 5.94D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.14D-03
 Coeff-Com: -0.491D-02-0.606D-01 0.269D+00 0.796D+00
 Coeff-En:   0.000D+00 0.000D+00 0.102D+00 0.898D+00
 Coeff:     -0.489D-02-0.605D-01 0.269D+00 0.796D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.69D-04 MaxDP=6.30D-02 DE=-4.49D-04 OVMax= 2.59D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  1.83D+00  1.18D+00  1.15D+00  1.02D+00
 E= -465.638642055308     Delta-E=       -0.000087857458 Rises=F Damp=F
 DIIS: error= 5.11D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.638642055308     IErMin= 5 ErrMin= 5.11D-05
 ErrMax= 5.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-06 BMatP= 1.16D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-02-0.728D-01 0.562D-01 0.304D+00 0.710D+00
 Coeff:      0.251D-02-0.728D-01 0.562D-01 0.304D+00 0.710D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=5.08D-05 MaxDP=2.74D-03 DE=-8.79D-05 OVMax= 4.82D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.04D-05    CP:  1.83D+00  1.18D+00  1.17D+00  1.05D+00  1.16D+00
 E= -465.638644597531     Delta-E=       -0.000002542223 Rises=F Damp=F
 DIIS: error= 1.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.638644597531     IErMin= 6 ErrMin= 1.14D-05
 ErrMax= 1.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-07 BMatP= 2.10D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-02-0.118D-01-0.127D-01-0.196D-02 0.159D+00 0.866D+00
 Coeff:      0.116D-02-0.118D-01-0.127D-01-0.196D-02 0.159D+00 0.866D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.22D-05 MaxDP=3.32D-03 DE=-2.54D-06 OVMax= 3.13D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.00D-05    CP:  1.83D+00  1.18D+00  1.17D+00  1.07D+00  1.22D+00
                    CP:  1.16D+00
 E= -465.638644836794     Delta-E=       -0.000000239263 Rises=F Damp=F
 DIIS: error= 4.23D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.638644836794     IErMin= 7 ErrMin= 4.23D-06
 ErrMax= 4.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-08 BMatP= 1.19D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.669D-04 0.500D-02-0.110D-01-0.385D-01-0.370D-01 0.327D+00
 Coeff-Com:  0.755D+00
 Coeff:      0.669D-04 0.500D-02-0.110D-01-0.385D-01-0.370D-01 0.327D+00
 Coeff:      0.755D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=6.78D-06 MaxDP=1.02D-03 DE=-2.39D-07 OVMax= 9.04D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.12D-06    CP:  1.83D+00  1.18D+00  1.17D+00  1.06D+00  1.24D+00
                    CP:  1.20D+00  1.12D+00
 E= -465.638644881557     Delta-E=       -0.000000044764 Rises=F Damp=F
 DIIS: error= 1.52D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.638644881557     IErMin= 8 ErrMin= 1.52D-06
 ErrMax= 1.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-09 BMatP= 2.90D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-03 0.229D-02-0.455D-03-0.760D-02-0.294D-01-0.318D-01
 Coeff-Com:  0.116D+00 0.951D+00
 Coeff:     -0.117D-03 0.229D-02-0.455D-03-0.760D-02-0.294D-01-0.318D-01
 Coeff:      0.116D+00 0.951D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.15D-06 MaxDP=1.85D-04 DE=-4.48D-08 OVMax= 5.73D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.24D-06    CP:  1.83D+00  1.18D+00  1.16D+00  1.06D+00  1.23D+00
                    CP:  1.20D+00  1.21D+00  1.29D+00
 E= -465.638644886679     Delta-E=       -0.000000005122 Rises=F Damp=F
 DIIS: error= 6.09D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.638644886679     IErMin= 9 ErrMin= 6.09D-07
 ErrMax= 6.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.84D-10 BMatP= 1.66D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.470D-04 0.294D-03 0.109D-02 0.128D-02-0.713D-02-0.435D-01
 Coeff-Com: -0.575D-01 0.361D+00 0.745D+00
 Coeff:     -0.470D-04 0.294D-03 0.109D-02 0.128D-02-0.713D-02-0.435D-01
 Coeff:     -0.575D-01 0.361D+00 0.745D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=1.67D-04 DE=-5.12D-09 OVMax= 1.31D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.15D-07    CP:  1.83D+00  1.18D+00  1.16D+00  1.06D+00  1.23D+00
                    CP:  1.20D+00  1.23D+00  1.40D+00  1.11D+00
 E= -465.638644887340     Delta-E=       -0.000000000661 Rises=F Damp=F
 DIIS: error= 1.93D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.638644887340     IErMin=10 ErrMin= 1.93D-07
 ErrMax= 1.93D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.74D-11 BMatP= 4.84D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-04-0.361D-03 0.356D-03 0.162D-02 0.401D-02 0.688D-03
 Coeff-Com: -0.409D-01-0.781D-01 0.912D-01 0.102D+01
 Coeff:      0.112D-04-0.361D-03 0.356D-03 0.162D-02 0.401D-02 0.688D-03
 Coeff:     -0.409D-01-0.781D-01 0.912D-01 0.102D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=8.05D-07 MaxDP=1.37D-04 DE=-6.61D-10 OVMax= 7.67D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.92D-07    CP:  1.83D+00  1.18D+00  1.16D+00  1.06D+00  1.23D+00
                    CP:  1.19D+00  1.23D+00  1.44D+00  1.23D+00  1.34D+00
 E= -465.638644887494     Delta-E=       -0.000000000154 Rises=F Damp=F
 DIIS: error= 4.37D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.638644887494     IErMin=11 ErrMin= 4.37D-08
 ErrMax= 4.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.74D-12 BMatP= 3.74D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.501D-05-0.698D-04-0.361D-04 0.760D-04 0.105D-02 0.407D-02
 Coeff-Com: -0.426D-02-0.314D-01-0.565D-01 0.148D+00 0.939D+00
 Coeff:      0.501D-05-0.698D-04-0.361D-04 0.760D-04 0.105D-02 0.407D-02
 Coeff:     -0.426D-02-0.314D-01-0.565D-01 0.148D+00 0.939D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=1.25D-05 DE=-1.54D-10 OVMax= 1.51D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.56D-08    CP:  1.83D+00  1.18D+00  1.16D+00  1.06D+00  1.23D+00
                    CP:  1.19D+00  1.23D+00  1.44D+00  1.25D+00  1.43D+00
                    CP:  1.29D+00
 E= -465.638644887473     Delta-E=        0.000000000021 Rises=F Damp=F
 DIIS: error= 1.23D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.638644887494     IErMin=12 ErrMin= 1.23D-08
 ErrMax= 1.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-13 BMatP= 3.74D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.569D-06 0.346D-04-0.501D-04-0.199D-03-0.297D-03 0.913D-03
 Coeff-Com:  0.353D-02 0.570D-02-0.250D-01-0.976D-01 0.170D+00 0.943D+00
 Coeff:     -0.569D-06 0.346D-04-0.501D-04-0.199D-03-0.297D-03 0.913D-03
 Coeff:      0.353D-02 0.570D-02-0.250D-01-0.976D-01 0.170D+00 0.943D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.97D-08 MaxDP=4.38D-06 DE= 2.11D-11 OVMax= 4.83D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.68D-08    CP:  1.83D+00  1.18D+00  1.16D+00  1.06D+00  1.23D+00
                    CP:  1.19D+00  1.23D+00  1.44D+00  1.25D+00  1.46D+00
                    CP:  1.41D+00  1.27D+00
 E= -465.638644887519     Delta-E=       -0.000000000046 Rises=F Damp=F
 DIIS: error= 4.52D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -465.638644887519     IErMin=13 ErrMin= 4.52D-09
 ErrMax= 4.52D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-14 BMatP= 3.59D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.449D-06 0.112D-04-0.635D-05-0.462D-04-0.122D-03-0.783D-04
 Coeff-Com:  0.824D-03 0.340D-02-0.142D-02-0.267D-01-0.360D-01 0.178D+00
 Coeff-Com:  0.882D+00
 Coeff:     -0.449D-06 0.112D-04-0.635D-05-0.462D-04-0.122D-03-0.783D-04
 Coeff:      0.824D-03 0.340D-02-0.142D-02-0.267D-01-0.360D-01 0.178D+00
 Coeff:      0.882D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=9.48D-09 MaxDP=1.40D-06 DE=-4.59D-11 OVMax= 7.86D-08

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.15D-09    CP:  1.83D+00  1.18D+00  1.16D+00  1.06D+00  1.23D+00
                    CP:  1.19D+00  1.23D+00  1.44D+00  1.25D+00  1.46D+00
                    CP:  1.43D+00  1.37D+00  1.14D+00
 E= -465.638644887460     Delta-E=        0.000000000058 Rises=F Damp=F
 DIIS: error= 1.59D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -465.638644887519     IErMin=14 ErrMin= 1.59D-09
 ErrMax= 1.59D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-15 BMatP= 2.65D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.488D-07-0.658D-06 0.332D-05 0.660D-05 0.214D-05-0.100D-03
 Coeff-Com: -0.165D-03 0.251D-03 0.195D-02 0.374D-02-0.263D-01-0.514D-01
 Coeff-Com:  0.208D+00 0.864D+00
 Coeff:     -0.488D-07-0.658D-06 0.332D-05 0.660D-05 0.214D-05-0.100D-03
 Coeff:     -0.165D-03 0.251D-03 0.195D-02 0.374D-02-0.263D-01-0.514D-01
 Coeff:      0.208D+00 0.864D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.53D-09 MaxDP=4.56D-07 DE= 5.84D-11 OVMax= 2.12D-08

 SCF Done:  E(RM11) =  -465.638644887     A.U. after   14 cycles
            NFock= 14  Conv=0.35D-08     -V/T= 2.0067
 KE= 4.625461886038D+02 PE=-2.296977459010D+03 EE= 7.606543264650D+02
 Leave Link  502 at Sun Sep 26 19:55:20 2021, MaxMem=  6442450944 cpu:            3695.3 elap:             463.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.11043789D+03

 Leave Link  801 at Sun Sep 26 19:55:21 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 3.85D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.58D-01 5.03D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.55D-02 5.63D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 4.65D-03 1.82D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 4.74D-04 4.38D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 3.96D-05 9.44D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.81D-06 1.51D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 5.64D-08 2.98D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.82D-09 5.83D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 4.93D-11 8.65D-07.
      9 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 1.13D-12 1.05D-07.
      2 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 3.61D-14 2.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.171955D+03
      2  0.822948D+01  0.113157D+03
      3 -0.445420D+01 -0.438430D+01  0.114091D+03
 Isotropic polarizability for W=    0.085645      133.07 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.692476D+02  0.500642D+02 -0.192329D+02
      2  -0.494986D+02 -0.365887D+02 -0.142984D+02
      3  -0.197490D+02 -0.134755D+02  0.335313D+02
      4   0.417255D+02 -0.893152D+02 -0.534218D+02
      5  -0.104302D+02 -0.559693D+02 -0.461964D+02
      6  -0.294185D+02  0.223490D+01  0.219099D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.657789D+01  0.105834D+02  0.353643D+01
      2   0.158085D+02 -0.158222D+02 -0.237962D+02
      3  -0.307770D+02  0.405239D+02  0.222339D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.254749D+01  0.165333D+02 -0.156665D+02
      2  -0.880270D+01 -0.240034D+02 -0.264474D+02
      3  -0.833864D+01  0.398166D+02  0.265509D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.256898D+01 -0.563167D+01  0.380951D+01
      2  -0.563167D+01  0.182717D+01 -0.251080D+01
      3   0.380951D+01 -0.251080D+01 -0.456233D+01
 OR G Eigenvalues:    -6.2154    -3.2558     9.3051  Iso=     0.0554
 Eigenvectors:
   (1)  -0.390128   0.014236   0.920651
   (2)   0.590097   0.771415   0.238126
   (3)   0.706814  -0.636173   0.309351
 w=    0.085645 a.u., Optical Rotation Beta=      0.0554 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       17.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 4.56D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.03D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.03D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.04D-02 3.31D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 3.30D-03 1.17D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 5.42D-05 8.88D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 8.63D-07 1.05D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.37D-08 1.40D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.79D-10 1.32D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.15D-12 1.12D-07.
     19 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.53D-14 1.66D-08.
      1 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 1.33D-15 3.45D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.22D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171955D+03  0.822948D+01 -0.445420D+01
      2   0.822948D+01  0.113157D+03 -0.438430D+01
      3  -0.445420D+01 -0.438430D+01  0.114091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.657789D+01  0.105834D+02  0.353643D+01
      2   0.158085D+02 -0.158222D+02 -0.237962D+02
      3  -0.307770D+02  0.405239D+02  0.222339D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.692476D+02  0.500642D+02 -0.192329D+02
      2  -0.494986D+02 -0.365887D+02 -0.142984D+02
      3  -0.197490D+02 -0.134755D+02  0.335313D+02
      4   0.417255D+02 -0.893152D+02 -0.534218D+02
      5  -0.104302D+02 -0.559693D+02 -0.461964D+02
      6  -0.294185D+02  0.223490D+01  0.219099D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.322172D+01 -0.344753D+01 -0.541971D+01 -0.402806D+01 -0.247286D+01
      2  -0.344753D+01 -0.235682D+01  0.335453D+00 -0.247286D+01  0.352022D+01
      3  -0.541971D+01  0.335453D+00  0.226058D+01  0.491755D+00 -0.330055D+01
                 6             7             8             9            10 
      1   0.491755D+00 -0.442274D+01  0.611653D+00  0.241822D+01 -0.203366D+02
      2  -0.330055D+01  0.611653D+00 -0.249889D+01 -0.137558D+01  0.508484D+01
      3  -0.101399D+01  0.241822D+01 -0.137558D+01  0.273027D+01  0.600805D+01
                11            12            13            14            15 
      1   0.508484D+01  0.600805D+01  0.756510D+01  0.725723D+00 -0.958451D+00
      2   0.205901D+01 -0.804095D-01  0.725723D+00 -0.828035D+00  0.274284D+01
      3  -0.804095D-01 -0.256196D+01 -0.958451D+00  0.274284D+01  0.197943D+01
                16            17            18            19            20 
      1   0.155586D+02 -0.826168D+00 -0.430997D+01  0.439171D+02  0.201631D+01
      2  -0.826168D+00  0.344048D+01  0.263835D+01  0.201631D+01  0.403157D+01
      3  -0.430997D+01  0.263835D+01 -0.345886D+01 -0.376082D+01  0.158410D+01
                21            22            23            24            25 
      1  -0.376082D+01 -0.287758D+01  0.740206D+01  0.394323D+01 -0.602929D+01
      2   0.158410D+01  0.740206D+01  0.178157D+01  0.622388D+00  0.318385D+01
      3   0.160164D+01  0.394323D+01  0.622388D+00 -0.410144D+01  0.291947D+01
                26            27            28            29            30 
      1   0.318385D+01  0.291947D+01 -0.604802D+02 -0.665046D+01  0.470443D+01
      2   0.121948D+00 -0.361206D+01 -0.665046D+01 -0.406040D+01 -0.606061D+00
      3  -0.361206D+01  0.276779D+01  0.470443D+01 -0.606061D+00 -0.245245D+01
                31            32            33            34            35 
      1  -0.138463D+02 -0.654641D+01 -0.472108D+00  0.872773D+01  0.244941D+00
      2  -0.654641D+01 -0.395657D+01 -0.136684D+01  0.244941D+00 -0.222346D+00
      3  -0.472108D+00 -0.136684D+01  0.186752D+01 -0.443582D+01  0.210517D+01
                36            37            38            39            40 
      1  -0.443582D+01  0.590301D+02  0.919436D+01 -0.597879D+01  0.145330D+02
      2   0.210517D+01  0.919436D+01  0.320674D+01  0.375352D+00  0.558692D+01
      3  -0.150176D+01 -0.597879D+01  0.375352D+00  0.107043D+01  0.302210D-01
                41            42            43            44            45 
      1   0.558692D+01  0.302210D-01 -0.759842D+01  0.359307D+00  0.360898D+01
      2   0.320185D+01  0.109886D+01  0.359307D+00  0.653675D-01 -0.300279D+01
      3   0.109886D+01 -0.290525D+01  0.360898D+01 -0.300279D+01  0.128365D+01
                46            47            48            49            50 
      1  -0.408493D+02 -0.906924D+01  0.566192D+01 -0.961918D+01 -0.306522D+01
      2  -0.906924D+01 -0.103377D+01  0.159146D+01 -0.306522D+01 -0.783829D+00
      3   0.566192D+01  0.159146D+01  0.175303D+00  0.260251D+01 -0.394000D+00
                51            52            53            54            55 
      1   0.260251D+01  0.245502D+01  0.203812D+01 -0.214165D+01  0.331357D+02
      2  -0.394000D+00  0.203812D+01 -0.355801D-01  0.134753D+01  0.705715D+01
      3   0.169018D+01 -0.214165D+01  0.134753D+01 -0.199877D+01 -0.528437D+01
                56            57            58            59            60 
      1   0.705715D+01 -0.528437D+01  0.153674D+02  0.727097D+01 -0.171145D+01
      2   0.233783D+01 -0.125867D+01  0.727097D+01  0.478384D+01 -0.195921D+01
      3  -0.125867D+01  0.189056D+01 -0.171145D+01 -0.195921D+01  0.586216D+00
                61            62            63            64            65 
      1  -0.163686D+02 -0.319794D+01  0.565955D+01  0.652838D+01 -0.491551D+01
      2  -0.319794D+01 -0.123690D+01  0.174417D+01 -0.491551D+01 -0.211398D+01
      3   0.565955D+01  0.174417D+01 -0.374049D+01 -0.323193D+01  0.575789D+00
                66            67            68            69            70 
      1  -0.323193D+01 -0.431873D+01 -0.193965D+01  0.721744D+00 -0.598983D+01
      2   0.575789D+00 -0.193965D+01  0.833705D+00 -0.229702D+01  0.869779D+00
      3   0.210307D+01  0.721744D+00 -0.229702D+01 -0.983214D+00  0.296816D+01
                71            72            73            74            75 
      1   0.869779D+00  0.296816D+01  0.103875D+01  0.114775D+01 -0.498418D+00
      2  -0.254404D+01 -0.225749D+01  0.114775D+01 -0.302821D+01 -0.324017D+01
      3  -0.225749D+01  0.588638D+01 -0.498418D+00 -0.324017D+01  0.236923D+01
                76            77            78            79            80 
      1   0.179492D+01 -0.317672D+01 -0.454767D+01 -0.122382D+01 -0.442850D+01
      2  -0.317672D+01 -0.236545D+01 -0.134914D+01 -0.442850D+01 -0.193683D+01
      3  -0.454767D+01 -0.134914D+01 -0.131218D+01  0.381140D+01 -0.800820D+00
                81            82            83            84            85 
      1   0.381140D+01 -0.720215D+01 -0.661697D+01 -0.187281D+01 -0.882400D+01
      2  -0.800820D+00 -0.661697D+01 -0.269733D+01  0.115860D+01 -0.458343D+01
      3   0.133878D+01 -0.187281D+01  0.115860D+01 -0.492697D-01  0.490292D+00
                86            87            88            89            90 
      1  -0.458343D+01  0.490292D+00  0.346428D+01  0.203915D+01 -0.209353D+00
      2   0.775616D+00  0.958916D-01  0.203915D+01  0.102534D+01  0.517904D+01
      3   0.958916D-01  0.372084D+01 -0.209353D+00  0.517904D+01  0.229508D+01
                91            92            93            94            95 
      1  -0.900731D+01 -0.699586D+00 -0.296546D+01 -0.243316D+01  0.158990D+01
      2  -0.699586D+00  0.225306D+01 -0.973200D-01  0.158990D+01  0.443997D+01
      3  -0.296546D+01 -0.973200D-01  0.273958D+01 -0.892197D+00  0.111660D+00
                96            97            98            99           100 
      1  -0.892197D+00 -0.631394D+00 -0.648598D+00  0.325580D+01 -0.528353D+01
      2   0.111660D+00 -0.648598D+00  0.619572D+00 -0.240881D+01  0.245206D+00
      3  -0.282905D+01  0.325580D+01 -0.240881D+01 -0.142125D+00 -0.275699D+01
               101           102           103           104           105 
      1   0.245206D+00 -0.275699D+01  0.152139D+01 -0.876402D+00  0.133929D+01
      2  -0.601990D+00  0.453305D+00 -0.876402D+00  0.936474D+00 -0.689478D+00
      3   0.453305D+00 -0.238375D+01  0.133929D+01 -0.689478D+00  0.127287D+01
               106           107           108           109           110 
      1  -0.426397D+01  0.885553D+00 -0.389284D+01 -0.733770D+01 -0.249533D+01
      2   0.885553D+00 -0.120644D+01  0.366943D+00 -0.249533D+01 -0.144532D+01
      3  -0.389284D+01  0.366943D+00 -0.465359D+01  0.227599D+01  0.103730D+01
               111           112           113           114           115 
      1   0.227599D+01 -0.261915D+01 -0.202151D+01  0.128412D+01  0.481167D+01
      2   0.103730D+01 -0.202151D+01 -0.193138D+01  0.989474D+00  0.201565D+01
      3  -0.189793D+01  0.128412D+01  0.989474D+00 -0.837567D+00 -0.329919D+01
               116           117           118           119           120 
      1   0.201565D+01 -0.329919D+01  0.488390D+00  0.665537D+00 -0.839118D+00
      2   0.183274D+01 -0.109591D+01  0.665537D+00 -0.265841D+00 -0.273631D+00
      3  -0.109591D+01  0.261579D+01 -0.839118D+00 -0.273631D+00  0.259792D-02
               121           122           123           124           125 
      1   0.179121D+01 -0.614597D+00 -0.864767D-01 -0.716530D+00  0.239547D-01
      2  -0.614597D+00  0.137806D+01 -0.140877D+01  0.239547D-01 -0.170660D+01
      3  -0.864767D-01 -0.140877D+01  0.215401D+01 -0.544383D+00  0.164012D+01
               126           127           128           129           130 
      1  -0.544383D+00  0.909457D+00 -0.387324D+00  0.687518D+00 -0.208697D+00
      2   0.164012D+01 -0.387324D+00  0.165333D+01 -0.526561D+00  0.749158D+00
      3  -0.604049D+01  0.687518D+00 -0.526561D+00  0.535264D+00 -0.338509D+00
               131           132           133           134           135 
      1   0.749158D+00 -0.338509D+00  0.136654D+01 -0.395989D+00  0.241377D+00
      2  -0.563024D+01  0.170273D+01 -0.395989D+00  0.331377D+01 -0.234977D+01
      3   0.170273D+01 -0.176254D+01  0.241377D+00 -0.234977D+01  0.212759D+01
               136           137           138           139           140 
      1   0.770531D+00 -0.438826D+00 -0.902187D+00  0.118533D+01 -0.400399D+00
      2  -0.438826D+00  0.183695D+00 -0.156959D+00 -0.400399D+00 -0.459885D+01
      3  -0.902187D+00 -0.156959D+00 -0.635359D-01 -0.592119D+00 -0.302824D+01
               141           142           143           144           145 
      1  -0.592119D+00 -0.206591D+01 -0.122520D+01 -0.980723D+00  0.575414D+00
      2  -0.302824D+01 -0.122520D+01 -0.469121D+01 -0.491431D+01 -0.648842D+00
      3  -0.283139D+01 -0.980723D+00 -0.491431D+01 -0.642725D+01  0.968415D+00
               146           147           148           149           150 
      1  -0.648842D+00  0.968415D+00 -0.921895D+00  0.941161D+00 -0.129999D+00
      2   0.947986D+00 -0.371919D+00  0.941161D+00 -0.555532D+01  0.238215D+01
      3  -0.371919D+00  0.348950D+00 -0.129999D+00  0.238215D+01 -0.288613D+01
               151           152           153           154           155 
      1   0.697344D+00 -0.256194D+00  0.796716D-01 -0.641692D+01  0.164993D+01
      2  -0.256194D+00  0.172918D+01 -0.154471D+01  0.164993D+01 -0.111878D+01
      3   0.796716D-01 -0.154471D+01  0.164097D+01  0.427516D+01 -0.989318D+00
               156           157           158           159           160 
      1   0.427516D+01  0.158806D+01 -0.105248D+01 -0.994983D+00  0.251525D+01
      2  -0.989318D+00 -0.105248D+01  0.753601D+00  0.144312D+01 -0.761759D+00
      3  -0.429915D+01 -0.994983D+00  0.144312D+01  0.148581D+01 -0.304689D+01
               161           162           163           164           165 
      1  -0.761759D+00 -0.304689D+01  0.356052D+01  0.185793D+01  0.193858D+01
      2   0.872453D+00  0.104532D+01  0.185793D+01  0.193413D+01  0.104686D+01
      3   0.104532D+01  0.386259D+01  0.193858D+01  0.104686D+01  0.222315D+01
               166           167           168           169           170 
      1   0.207866D+01  0.151042D+01  0.704990D+00  0.109693D+01  0.477203D+00
      2   0.151042D+01  0.223894D+01  0.181061D+01  0.477203D+00  0.104418D+01
      3   0.704990D+00  0.181061D+01  0.220991D+01  0.916161D+00  0.116836D+01
               171           172           173           174           175 
      1   0.916161D+00 -0.143409D+01  0.993271D+00 -0.926317D+00  0.475374D+00
      2   0.116836D+01  0.993271D+00 -0.178489D+00  0.301653D+00 -0.113379D+00
      3   0.194272D+01 -0.926317D+00  0.301653D+00 -0.121310D+01  0.259486D+00
               176           177           178           179           180 
      1  -0.113379D+00  0.259486D+00 -0.140474D+01  0.858103D+00 -0.211326D+01
      2   0.533861D+00 -0.104246D+01  0.858103D+00 -0.220745D+01  0.213553D+01
      3  -0.104246D+01  0.746527D+00 -0.211326D+01  0.213553D+01 -0.746666D+01
               181           182           183           184           185 
      1   0.262443D+01  0.209927D+01  0.783281D+00  0.161138D+01  0.181201D+01
      2   0.209927D+01  0.418268D+01  0.419420D+00  0.181201D+01  0.521804D+01
      3   0.783281D+00  0.419420D+00  0.821080D+00  0.277919D+00  0.828749D+00
               186           187           188           189           190 
      1   0.277919D+00  0.102711D+01  0.175299D+00  0.255916D+00 -0.762207D+01
      2   0.828749D+00  0.175299D+00  0.155123D+01  0.122196D+01  0.411711D+01
      3   0.905403D+00  0.255916D+00  0.122196D+01  0.186602D+00  0.226953D+01
               191           192           193           194           195 
      1   0.411711D+01  0.226953D+01  0.149219D+01 -0.219903D+01 -0.783956D+00
      2  -0.288271D+01 -0.986819D+00 -0.219903D+01  0.236858D+01  0.103074D+01
      3  -0.986819D+00 -0.183317D+01 -0.783956D+00  0.103074D+01  0.662825D+00
               196           197           198           199           200 
      1   0.364764D+01 -0.177969D+01 -0.222095D+01 -0.147683D+01 -0.901437D+00
      2  -0.177969D+01  0.215171D+01  0.141387D+01 -0.901437D+00  0.127030D-01
      3  -0.222095D+01  0.141387D+01  0.137411D+01  0.113505D+01 -0.222752D+00
               201           202           203           204           205 
      1   0.113505D+01 -0.156468D+01  0.835747D+00  0.272562D+00  0.129466D+01
      2  -0.222752D+00  0.835747D+00 -0.134449D+01  0.145382D+01  0.277997D+00
      3   0.359585D+00  0.272562D+00  0.145382D+01 -0.191964D+01  0.621684D+00
               206           207           208           209           210 
      1   0.277997D+00  0.621684D+00  0.906061D+00  0.693816D+00 -0.868036D+00
      2   0.165929D+01 -0.179387D+01  0.693816D+00  0.298071D-01  0.792586D-01
      3  -0.179387D+01  0.379672D+01 -0.868036D+00  0.792586D-01 -0.216065D+00
               211           212           213           214           215 
      1   0.115242D+01 -0.600253D-01 -0.419252D+00 -0.138043D+01 -0.273546D+00
      2  -0.600253D-01  0.192687D+01 -0.191821D+01 -0.273546D+00 -0.214064D+01
      3  -0.419252D+00 -0.191821D+01  0.285504D+01  0.566757D-01  0.253393D+01
               216           217           218           219           220 
      1   0.566757D-01  0.104611D+01 -0.725981D+00  0.172299D+00 -0.214204D+01
      2   0.253393D+01 -0.725981D+00 -0.115427D+01  0.219717D+00  0.251700D+00
      3  -0.579716D+01  0.172299D+00  0.219717D+00 -0.875299D+00 -0.612440D+00
               221           222           223           224           225 
      1   0.251700D+00 -0.612440D+00  0.646890D+00  0.166427D+00 -0.248996D+00
      2  -0.775943D+01  0.871135D+00  0.166427D+00 -0.346764D+00 -0.666492D+00
      3   0.871135D+00 -0.146287D+01 -0.248996D+00 -0.666492D+00  0.295051D+00
               226           227           228           229           230 
      1  -0.454185D+00  0.769630D+00  0.124728D+01  0.843677D+00 -0.544503D+00
      2   0.769630D+00 -0.101530D+01 -0.171332D+00 -0.544503D+00  0.458683D+00
      3   0.124728D+01 -0.171332D+00 -0.267336D+01 -0.105076D+00  0.118734D+01
               231           232           233           234           235 
      1  -0.105076D+00  0.273708D+01 -0.409200D+00 -0.848309D+00  0.101482D+02
      2   0.118734D+01 -0.409200D+00  0.120038D+01  0.107616D+01 -0.595083D+00
      3   0.218817D+01 -0.848309D+00  0.107616D+01  0.582899D+01  0.317747D+01
               236           237           238           239           240 
      1  -0.595083D+00  0.317747D+01  0.403303D+00  0.990860D+00  0.226572D+00
      2   0.112067D+01 -0.196347D+00  0.990860D+00 -0.396273D+00  0.382406D+00
      3  -0.196347D+00  0.201803D+01  0.226572D+00  0.382406D+00  0.520521D+00
               241           242           243 
      1   0.204898D+01 -0.242057D-01  0.147927D+01
      2  -0.242057D-01  0.146043D+00  0.206131D+00
      3   0.147927D+01  0.206131D+00  0.125410D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.609702D+01 -0.565274D+01  0.560388D+00 -0.539750D+01  0.102752D+02
      2   0.806541D+01  0.755263D+01  0.109265D+02  0.705430D+01  0.127488D+02
      3  -0.691448D+01 -0.799849D+01 -0.118505D+01 -0.379011D+01  0.526902D+01
                 6             7             8             9            10 
      1  -0.115779D+02 -0.531767D+00 -0.442122D+01 -0.280415D+01  0.813511D+00
      2   0.849701D+00  0.305205D+01  0.218170D+01 -0.945141D+01 -0.204083D+02
      3  -0.578378D+01 -0.495433D+00 -0.485106D+01 -0.188887D+01  0.134082D+02
                11            12            13            14            15 
      1   0.255512D+01  0.159271D+01  0.257616D+01 -0.476241D+01 -0.501972D+01
      2  -0.163924D+01  0.863029D+01 -0.185507D+01 -0.964421D+01 -0.535147D+01
      3   0.470137D+01  0.444998D+01  0.160070D+02  0.332598D+01  0.679981D+01
                16            17            18            19            20 
      1  -0.460737D-01  0.561286D+01  0.393988D+01 -0.273899D+01 -0.116386D+01
      2   0.803148D+01 -0.568643D+01  0.819996D+01  0.253806D+02  0.258049D+01
      3   0.416455D-01  0.692434D+01  0.414555D+01 -0.170109D+02 -0.641541D+01
                21            22            23            24            25 
      1  -0.101729D+01  0.945024D+00 -0.100490D+01 -0.469046D+01  0.351759D+00
      2   0.945255D+00  0.210878D+01  0.597629D+01  0.650776D+01 -0.152718D+02
      3  -0.661277D-01  0.394652D+01 -0.507264D+01 -0.868570D+00 -0.163961D+01
                26            27            28            29            30 
      1   0.420900D+00  0.433357D+01  0.715098D+01 -0.356736D+00 -0.593930D+00
      2   0.491166D+01  0.120266D+00 -0.285913D+02 -0.571751D+01 -0.157638D+01
      3  -0.262558D+01 -0.334125D+01  0.147492D+02  0.675890D+01  0.817204D+00
                31            32            33            34            35 
      1  -0.599707D+01  0.619761D+00 -0.217400D+01 -0.368737D+01  0.277711D+01
      2  -0.145806D+02 -0.437188D+01 -0.343346D+00 -0.219616D+02 -0.276474D+01
      3   0.327824D+02  0.839358D+01 -0.120558D+01  0.313781D+01  0.122140D+01
                36            37            38            39            40 
      1  -0.400328D+01 -0.737211D+01  0.178612D+01  0.136088D+01  0.683545D+01
      2  -0.167120D+00  0.209028D+02  0.618311D+01  0.429159D+01  0.145073D+02
      3   0.604740D+00 -0.224664D+02 -0.117336D+02 -0.299255D+00 -0.153907D+01
                41            42            43            44            45 
      1  -0.361769D-01 -0.703609D+00  0.927314D+01  0.211715D+01  0.948502D+00
      2   0.594553D+01 -0.532259D+01 -0.105677D+02 -0.658197D+01  0.951826D+01
      3  -0.224118D+01 -0.417551D+01 -0.308832D+01 -0.515395D+01  0.382350D+01
                46            47            48            49            50 
      1   0.671094D+01 -0.100860D+02 -0.242347D+01 -0.626055D+01  0.894851D+01
      2  -0.432727D+01 -0.729773D+01 -0.606362D+01 -0.340733D+01 -0.430925D+00
      3   0.156350D+02  0.150140D+02  0.937434D+00  0.242113D+02  0.465294D+01
                51            52            53            54            55 
      1  -0.124406D+02 -0.149688D+01 -0.150785D+00 -0.122583D+02 -0.370992D+01
      2  -0.124831D+01 -0.200318D+02  0.168787D+01 -0.860925D+01  0.393095D+01
      3   0.445743D+01  0.604232D+00  0.388645D+00 -0.119619D+01 -0.121583D+02
                56            57            58            59            60 
      1   0.300615D+01 -0.182392D+00 -0.171322D+01 -0.336231D+01  0.242940D+00
      2   0.173601D+01  0.150491D+02  0.451160D+01 -0.220852D+01  0.740931D+01
      3  -0.182043D+02  0.180559D+01 -0.146368D+02 -0.161179D+02  0.355594D+01
                61            62            63            64            65 
      1   0.997274D+00  0.271642D+01  0.382889D+01  0.755928D+01 -0.140594D+01
      2   0.466311D+01  0.285948D+01 -0.111808D+02  0.100292D+02 -0.257758D+01
      3   0.474807D+01  0.822858D+01 -0.439816D+01 -0.798611D+01 -0.215239D+02
                66            67            68            69            70 
      1  -0.552503D+01 -0.756925D+00  0.597171D+01  0.221592D+01 -0.853357D+01
      2  -0.379108D+01 -0.243774D+01  0.549863D+01  0.300612D+01 -0.115650D+02
      3  -0.561587D+01 -0.116391D+02 -0.447021D+01 -0.527207D+01 -0.349735D+01
                71            72            73            74            75 
      1   0.919088D+01 -0.139997D+02 -0.418759D+00 -0.286717D+01  0.346419D+01
      2   0.621540D+01 -0.145422D+02  0.232151D+01  0.139999D+02 -0.638592D+01
      3  -0.479874D+01 -0.244691D-01  0.602905D+01 -0.175144D+02 -0.140032D+02
                76            77            78            79            80 
      1  -0.322740D+01 -0.515493D+00 -0.289075D+01  0.585339D+01  0.167066D+01
      2   0.178870D+02  0.405244D+01  0.207495D+01 -0.192812D+02 -0.107685D+01
      3  -0.969061D+01 -0.433805D+01 -0.177428D+01 -0.168562D+02 -0.134836D+01
                81            82            83            84            85 
      1   0.165695D+01  0.240305D+00  0.547960D+01 -0.153809D+01  0.495942D+01
      2  -0.315003D+01 -0.202713D+01 -0.863796D+01  0.535799D+00 -0.122577D+02
      3  -0.589773D+01 -0.874436D+01  0.530496D+01  0.514131D+01  0.152190D+02
                86            87            88            89            90 
      1  -0.724802D+00  0.712473D+01 -0.895399D+00  0.166410D+02  0.142426D+01
      2  -0.452703D+01 -0.530901D+01 -0.278446D+01 -0.640417D+01 -0.328895D+01
      3   0.855071D+01 -0.274809D+01  0.740159D+01 -0.275928D+01  0.933195D+01
                91            92            93            94            95 
      1  -0.271194D+01  0.594061D+01  0.434847D+01 -0.156609D+01  0.810742D+01
      2  -0.288597D+01  0.529299D+00  0.186522D+02 -0.153301D+01 -0.359303D+01
      3   0.699118D+01 -0.108489D+02  0.270590D+01 -0.121071D+01 -0.173837D+02
                96            97            98            99           100 
      1  -0.779623D+01 -0.637628D+00  0.468044D+01 -0.463533D+01 -0.233501D+01
      2  -0.120437D+02  0.102782D+02 -0.849758D+01 -0.462918D+01  0.572448D+01
      3   0.120318D+00  0.280402D+01 -0.416818D+01  0.589202D+01  0.513047D+01
               101           102           103           104           105 
      1   0.158803D+01 -0.201576D+01  0.119786D+01 -0.176858D+01  0.378729D+00
      2  -0.182945D+01  0.863354D+01 -0.379652D+01  0.185865D+01 -0.405893D+01
      3  -0.371288D+01  0.415559D+01 -0.220672D+01  0.487581D+01 -0.324005D+01
               106           107           108           109           110 
      1  -0.367419D+01  0.326717D+01 -0.383255D+01  0.286135D+01  0.434711D+00
      2   0.858105D+01 -0.108348D+01  0.146869D+02 -0.951045D+01 -0.425955D+01
      3   0.681349D+01 -0.609830D+01  0.468882D+01 -0.601648D+00 -0.510016D+01
               111           112           113           114           115 
      1  -0.285236D+01  0.201655D+01  0.886595D+00 -0.230512D+01 -0.334332D+01
      2   0.976588D+01 -0.548584D+01 -0.406714D+01  0.421820D+01  0.107303D+02
      3   0.130015D+01 -0.179404D+01 -0.517449D+01  0.209378D+01  0.247759D+01
               116           117           118           119           120 
      1   0.275751D+00  0.350739D+01 -0.751383D+00  0.117664D+00  0.107204D+00
      2   0.395697D+01 -0.116280D+02  0.277803D+01  0.713976D+00  0.378490D+00
      3   0.594382D+01 -0.490630D+00  0.870587D+00 -0.989745D+00  0.313149D+00
               121           122           123           124           125 
      1  -0.132612D+01 -0.287043D+01  0.851425D+00 -0.891974D+00  0.443856D+01
      2   0.174457D+01  0.681900D+00 -0.251369D+01 -0.377366D+01 -0.165634D+01
      3   0.171538D+01  0.926403D+00 -0.114985D+01  0.120429D-01 -0.159729D+01
               126           127           128           129           130 
      1  -0.277276D+01  0.228443D+01 -0.219460D+01  0.243604D+01 -0.178881D+01
      2   0.550184D+01 -0.717522D+00  0.802945D+00  0.647219D+00  0.115709D+01
      3   0.208425D+01 -0.335730D+01  0.232481D+01 -0.278779D+01  0.427595D+01
               131           132           133           134           135 
      1   0.758448D+01 -0.758520D+01  0.110792D+01 -0.645525D+01  0.879905D+01
      2  -0.205456D+01  0.232340D+01 -0.833962D+00  0.347721D+01 -0.299381D+01
      3  -0.115828D+02  0.402861D+01 -0.506219D+01  0.680162D+01 -0.538097D+01
               136           137           138           139           140 
      1  -0.111969D+01 -0.659265D+00  0.106048D+00 -0.551868D+00 -0.682482D+00
      2   0.186253D+01 -0.712117D-01  0.103399D+00  0.148150D+00  0.494510D+01
      3  -0.938849D+00  0.542438D-01  0.128224D+01  0.144335D+01 -0.799814D+01
               141           142           143           144           145 
      1  -0.508947D+01 -0.265809D+00 -0.335392D+01 -0.101558D+02 -0.166484D+01
      2   0.472676D+01 -0.283663D+01  0.746765D+01  0.104011D+02 -0.441501D+01
      3  -0.457595D+01  0.255692D+01 -0.681164D+01 -0.784703D+01 -0.161203D+01
               146           147           148           149           150 
      1   0.298081D+01 -0.458852D+00  0.284484D+01 -0.151641D+02  0.232258D+01
      2   0.241325D+01 -0.170702D+01  0.419388D+01 -0.750578D+01  0.555185D+01
      3   0.102178D+01 -0.445444D+00  0.416966D+01 -0.904227D+01  0.386532D+01
               151           152           153           154           155 
      1  -0.545235D+00  0.500317D+01 -0.307248D+01  0.216064D+01 -0.331959D+01
      2  -0.297088D+01  0.368900D+01 -0.305985D+01  0.517624D+01 -0.145498D+01
      3  -0.911072D+00  0.271324D+01 -0.261980D+01  0.136280D+01 -0.380767D+01
               156           157           158           159           160 
      1  -0.415596D-01 -0.159693D+01  0.116209D+01  0.116324D+01 -0.954382D+00
      2   0.300911D+01 -0.219851D+01 -0.125138D+01 -0.153198D+01 -0.306293D+01
      3  -0.795187D+00 -0.689480D+00  0.159001D+01  0.249391D+01 -0.177176D+00
               161           162           163           164           165 
      1   0.334482D+01  0.417030D+00  0.328840D+01  0.486992D+01  0.122894D+00
      2  -0.332153D+00 -0.190866D+01 -0.149312D+02 -0.674820D+01 -0.694350D+01
      3   0.242958D+01  0.106574D+01  0.681904D+01  0.285301D+01  0.291698D+01
               166           167           168           169           170 
      1   0.315129D+01  0.422396D+01  0.903463D+00  0.624714D+00  0.321802D+01
      2  -0.756145D+01 -0.744498D+01 -0.489747D+01 -0.654691D+01 -0.362209D+01
      3   0.571022D+01  0.373630D+01  0.360276D+01  0.172468D+01  0.129751D+01
               171           172           173           174           175 
      1   0.143492D+01  0.166823D+01 -0.294330D+00  0.287098D+01 -0.901193D+00
      2  -0.534552D+01  0.164925D+01 -0.580483D+00  0.358317D+01 -0.357511D+00
      3   0.281465D+01  0.539304D+00  0.489157D+00 -0.941123D+00  0.144936D+01
               176           177           178           179           180 
      1   0.214411D+01 -0.254175D+01  0.414491D+01 -0.329659D+00  0.173331D+02
      2   0.252462D+01 -0.177099D+01  0.183338D+01 -0.468337D+01  0.183910D+02
      3   0.111565D+01 -0.200289D+01 -0.154906D+01 -0.482943D+01  0.210388D+01
               181           182           183           184           185 
      1  -0.208674D+01 -0.856924D+00 -0.325124D+01 -0.115195D+01 -0.236286D+01
      2  -0.151176D+01 -0.605590D+00 -0.233503D+00 -0.307720D+00 -0.146314D+01
      3   0.154958D+02  0.143967D+02  0.319580D+01  0.112368D+02  0.177803D+02
               186           187           188           189           190 
      1  -0.426758D+01 -0.808106D+00 -0.139354D+01 -0.536959D+00 -0.541883D+01
      2  -0.106832D+01 -0.148509D+01 -0.261452D+01 -0.203932D+00 -0.625159D+01
      3   0.307656D+01  0.314433D+01  0.432246D+01  0.380749D+01 -0.460791D+01
               191           192           193           194           195 
      1   0.181245D+01  0.551926D+01  0.258743D+01 -0.241185D+01 -0.308328D+01
      2   0.302532D+01  0.766541D+01  0.189798D+01 -0.305884D+01 -0.281819D+01
      3  -0.229795D+01  0.225483D+01  0.215952D+01  0.268364D+01  0.890631D+00
               196           197           198           199           200 
      1   0.453088D+01 -0.149729D+01 -0.336021D+01  0.107413D+00  0.336504D+00
      2   0.511552D+01 -0.353730D+01 -0.457818D+01 -0.277406D+00 -0.503466D+00
      3   0.211779D+01  0.351805D+01 -0.507492D+00  0.108579D+01  0.391038D+00
               201           202           203           204           205 
      1   0.234421D+00  0.456298D+01  0.862960D+00 -0.299269D+01  0.262180D+01
      2  -0.517628D-01  0.129345D+01  0.132849D+01 -0.940144D+00 -0.249730D+01
      3  -0.782838D+00  0.324383D+01  0.411446D+00 -0.339464D+00 -0.185961D+01
               206           207           208           209           210 
      1   0.126257D+01  0.341632D+01 -0.861411D+00  0.443533D+00  0.111900D-03
      2  -0.891215D-01  0.267747D+01 -0.988277D+00  0.428753D+00 -0.417610D-01
      3  -0.818422D+00  0.627353D+00 -0.196876D+01 -0.484704D+00  0.784632D-01
               211           212           213           214           215 
      1   0.161639D+01 -0.203877D+01 -0.266230D+00  0.695979D+00  0.376464D+01
      2   0.840985D-01 -0.398333D+01  0.509699D+01 -0.403213D+01  0.442811D+01
      3   0.390643D+01 -0.335910D+01  0.392555D+01  0.671079D+00  0.442900D+01
               216           217           218           219           220 
      1   0.683985D+00 -0.740265D-01 -0.247778D+01  0.833261D-01  0.197782D+00
      2  -0.102463D+02  0.108627D+01  0.214596D+01 -0.241588D+01  0.587631D+00
      3  -0.508577D+01  0.266412D+01  0.468616D+01 -0.103434D+01  0.241871D+01
               221           222           223           224           225 
      1  -0.126468D+02 -0.492096D+00  0.164548D+01 -0.107383D+01 -0.428066D+00
      2   0.383710D+01 -0.350779D+01 -0.851551D+00 -0.224158D+01  0.197511D+01
      3   0.277200D+02 -0.274910D+01 -0.149028D+01  0.171425D+01  0.247693D+01
               226           227           228           229           230 
      1   0.984721D+00 -0.185210D+01 -0.398317D+01  0.185373D+00  0.199932D+01
      2   0.761506D+01 -0.201340D+01 -0.123602D+02 -0.193829D+01  0.575197D+01
      3  -0.171853D+01  0.197041D+01  0.483128D-01  0.159918D+01 -0.908279D+00
               231           232           233           234           235 
      1   0.389018D+01 -0.218850D+01  0.364716D+01  0.697150D+01  0.153046D+01
      2   0.904153D+01 -0.831230D+01  0.476408D+01  0.230429D+02 -0.190730D+01
      3  -0.433047D+01  0.161535D+00 -0.312687D+01 -0.309602D+01 -0.481110D+01
               236           237           238           239           240 
      1   0.183576D+01  0.107621D+01  0.787199D+00 -0.246397D+00 -0.216942D+00
      2  -0.363080D+00  0.579396D+01  0.541402D+00  0.455193D+00  0.191936D+01
      3  -0.591255D+01 -0.126257D+01 -0.232392D+01  0.776618D+00 -0.922237D+00
               241           242           243 
      1   0.769252D+00  0.120421D+01  0.980065D+00
      2   0.407621D+00  0.111293D+01  0.269563D+01
      3  -0.179048D+01 -0.945401D+00 -0.169252D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.308773D+01  0.131234D+02  0.189995D+02  0.129514D+02  0.152712D+02
      2   0.907432D+01 -0.100950D+02 -0.178988D+02 -0.102404D+02  0.140336D+01
      3  -0.121621D+02 -0.302846D+01 -0.110069D+01 -0.271095D+01 -0.166745D+02
      4   0.137633D+02  0.326954D+01 -0.795952D+01  0.535721D+01 -0.156686D+02
      5   0.283392D+02 -0.141367D+02 -0.278379D+02 -0.150657D+02  0.481987D+01
      6  -0.158002D+02 -0.870286D+01  0.302398D+01 -0.761330D+01  0.106726D+02
                 6             7             8             9            10 
      1   0.139084D+00  0.135246D+02 -0.343192D+00 -0.169813D+02 -0.177826D+02
      2   0.319285D+01 -0.135002D+02  0.256952D+01 -0.149636D+01  0.159577D+02
      3  -0.333193D+01 -0.243885D-01 -0.222633D+01  0.184777D+02  0.182487D+01
      4   0.108079D+02 -0.771647D+01  0.839119D+01  0.736236D+01 -0.357550D+02
      5   0.466142D+01 -0.265727D+02  0.661355D+01 -0.184991D+01 -0.147357D+02
      6  -0.128987D+02  0.368765D+01 -0.116831D+02 -0.143407D+01  0.101966D+02
                11            12            13            14            15 
      1  -0.212729D+02 -0.100715D+02 -0.268637D+02 -0.238781D+02 -0.107000D+02
      2   0.162636D+02  0.653541D+01  0.191102D+02  0.156415D+01  0.580752D+01
      3   0.500929D+01  0.353606D+01  0.775357D+01  0.223139D+02  0.489249D+01
      4  -0.312861D+01  0.402488D+01 -0.679058D+01  0.341374D+01 -0.143321D+02
      5   0.114069D+01  0.135216D+02  0.251474D+01 -0.996062D+01 -0.647103D+01
      6  -0.193048D+01 -0.226490D+01  0.544851D+00  0.812325D+01  0.559657D+01
                16            17            18            19            20 
      1  -0.375865D+01 -0.910032D+01  0.119392D+02  0.609429D+02  0.122166D+02
      2  -0.354338D+01  0.859248D+01  0.909588D+00 -0.522765D+02 -0.124424D+02
      3   0.730202D+01  0.507840D+00 -0.128488D+02 -0.866634D+01  0.225816D+00
      4   0.775169D+01 -0.180370D+02 -0.132526D+02  0.183327D+02 -0.136061D+02
      5   0.138212D+02 -0.965623D+01  0.155675D+02 -0.190565D+02 -0.800080D+01
      6  -0.658019D+01  0.481008D+01 -0.645976D+01 -0.227775D+02 -0.663069D+01
                21            22            23            24            25 
      1   0.906107D+00  0.109746D+02  0.106833D+02 -0.121279D+01  0.443650D+01
      2  -0.224214D+01 -0.133103D+02 -0.785251D+01 -0.652042D+01  0.783247D+00
      3   0.133603D+01  0.233571D+01 -0.283075D+01  0.773322D+01 -0.521975D+01
      4  -0.761789D+01 -0.264288D+02 -0.575596D+01  0.260665D+01 -0.127786D+02
      5  -0.162437D+01 -0.121567D+02 -0.489560D+01  0.785381D+01 -0.751858D+01
      6  -0.117004D+01 -0.975345D+01 -0.638606D+01 -0.227513D+01 -0.764318D+00
                26            27            28            29            30 
      1  -0.161745D+01  0.590122D+01 -0.130119D+03 -0.139674D+02  0.588208D+01
      2  -0.803647D+01  0.799105D+01  0.840392D+02  0.753823D+01 -0.533103D+01
      3   0.965392D+01 -0.138923D+02  0.460802D+02  0.642913D+01 -0.551044D+00
      4   0.551225D+01  0.957089D+01 -0.208447D+02 -0.117919D+02 -0.228477D+00
      5   0.556802D+01 -0.398347D+01  0.369429D+02  0.206375D+01 -0.128548D+02
      6   0.110130D+00  0.754747D+01  0.251731D+02  0.673815D+01  0.620926D+00
                31            32            33            34            35 
      1  -0.403027D+02 -0.268340D+02 -0.576783D+01  0.259675D+02 -0.304382D+01
      2   0.280898D+02  0.207390D+02  0.378602D+01 -0.135918D+02  0.565929D+01
      3   0.122129D+02  0.609499D+01  0.198181D+01 -0.123757D+02 -0.261547D+01
      4  -0.158351D+02 -0.121868D+02 -0.386890D+01  0.316623D+01 -0.334152D+01
      5   0.780315D+01  0.170056D+01 -0.534453D+00 -0.962959D+01  0.222528D+01
      6   0.701650D+01  0.110371D+02  0.500008D+01 -0.330466D-01  0.171079D+01
                36            37            38            39            40 
      1  -0.129161D+02  0.182822D+03  0.329741D+02 -0.174402D+02  0.350823D+02
      2   0.183284D+01 -0.106313D+03 -0.188634D+02  0.118199D+02 -0.172152D+02
      3   0.110833D+02 -0.765087D+02 -0.141107D+02  0.562033D+01 -0.178671D+02
      4   0.152294D+01  0.409485D+02  0.204574D+02  0.135881D+01  0.308330D+02
      5  -0.287996D+00 -0.536203D+02 -0.312771D+01  0.131200D+02 -0.206051D+01
      6   0.474191D+01 -0.249940D+02 -0.677628D+01  0.332211D+00 -0.104025D+02
                41            42            43            44            45 
      1   0.949999D+01 -0.107818D+02 -0.562689D+01 -0.948238D+01  0.106070D+02
      2   0.169790D+01 -0.853647D+00  0.102177D+02  0.371129D+01 -0.516380D+01
      3  -0.111979D+02  0.116355D+02 -0.459082D+01  0.577109D+01 -0.544315D+01
      4   0.669124D+01  0.161471D+01  0.986093D+01  0.580673D+01 -0.104819D+02
      5   0.204296D+01 -0.123109D+02  0.182559D+02 -0.920551D+01  0.656261D+01
      6   0.452814D-01  0.733735D+00  0.551246D+00  0.865487D+00  0.109241D+02
                46            47            48            49            50 
      1  -0.165772D+03 -0.373168D+02  0.345590D+02 -0.525723D+02 -0.214615D+02
      2   0.869019D+02  0.175421D+02 -0.169358D+02  0.270001D+02  0.119354D+02
      3   0.788698D+02  0.197747D+02 -0.176232D+02  0.255722D+02  0.952610D+01
      4  -0.631798D+02 -0.292154D+02  0.980443D+01 -0.198662D+02 -0.903296D+01
      5   0.658560D+02  0.139331D+02 -0.213812D+02  0.299438D+02  0.676278D-01
      6   0.218421D+02  0.230093D+01 -0.560693D+01 -0.603938D+00  0.637920D+01
                51            52            53            54            55 
      1   0.129361D+02  0.281840D+02  0.116830D+02 -0.158344D+02  0.176904D+03
      2  -0.113730D+02 -0.844729D+01  0.139165D+00  0.120596D+02 -0.900402D+02
      3  -0.156314D+01 -0.197367D+02 -0.118221D+02  0.377482D+01 -0.868640D+02
      4  -0.151680D+01  0.219234D+02 -0.409354D+01  0.609405D+01  0.559792D+02
      5   0.705466D+01 -0.193344D+02  0.712941D+01 -0.145038D+02 -0.622568D+02
      6   0.749958D+00  0.506695D+01 -0.321753D+01  0.546779D+01 -0.113541D+02
                56            57            58            59            60 
      1   0.370812D+02 -0.352113D+02  0.658736D+02  0.316493D+02 -0.649014D+01
      2  -0.143309D+02  0.217733D+02 -0.276650D+02 -0.504303D+01  0.204600D+01
      3  -0.227503D+02  0.134381D+02 -0.382086D+02 -0.266063D+02  0.444414D+01
      4   0.359599D+02 -0.104527D+02  0.604831D+02  0.415395D+02 -0.157014D+02
      5  -0.125632D+02  0.338293D+02 -0.220813D+02 -0.174359D+02  0.978408D+01
      6  -0.501433D+01  0.524909D+01 -0.107484D+02 -0.865335D+01  0.895811D+01
                61            62            63            64            65 
      1  -0.735224D+02 -0.116516D+02  0.267242D+02 -0.402624D+01  0.350186D+02
      2   0.437455D+02  0.486639D+01 -0.234701D+02 -0.133946D+02 -0.287309D+02
      3   0.297769D+02  0.678522D+01 -0.325415D+01  0.174209D+02 -0.628761D+01
      4  -0.236070D+02 -0.118965D+02  0.137718D+02  0.339462D+02 -0.138627D+02
      5   0.597781D+02  0.156575D+02 -0.360088D+02  0.154979D+02 -0.604905D+01
      6   0.112360D+02  0.964974D+01 -0.611259D+01 -0.153770D+02  0.320113D+01
                66            67            68            69            70 
      1   0.175601D+02  0.303103D+02  0.805317D+01  0.714506D+00  0.177314D+02
      2  -0.696374D+01 -0.248518D+02  0.130429D+01 -0.852246D+01 -0.249526D+01
      3  -0.105964D+02 -0.545854D+01 -0.935746D+01  0.780795D+01 -0.152362D+02
      4  -0.157211D+02 -0.815428D+01 -0.153315D+02  0.110685D+02 -0.199653D+02
      5  -0.112784D+02 -0.552848D+01  0.110516D+02  0.560789D+01 -0.146972D+02
      6   0.867779D+01  0.415544D+01 -0.113619D+02 -0.527077D+01  0.126704D+02
                71            72            73            74            75 
      1  -0.170697D+01 -0.801013D+01 -0.952186D+01 -0.105418D+02 -0.198006D+01
      2  -0.102380D+02  0.679157D+01  0.572580D+01  0.413581D+01  0.807253D+01
      3   0.119450D+02  0.121856D+01  0.379606D+01  0.640602D+01 -0.609247D+01
      4   0.133871D+02  0.182690D+02 -0.102906D+02  0.540362D+01  0.181107D+02
      5   0.117927D+02 -0.302024D+02  0.663581D+01  0.183076D+02 -0.228692D+02
      6  -0.585206D+01  0.213131D+02  0.330429D+01  0.929961D+01  0.278787D+00
                76            77            78            79            80 
      1  -0.128305D+02  0.220116D+02  0.299733D+02  0.321946D+01  0.304406D+02
      2   0.637379D+01 -0.970971D+01 -0.163937D+02  0.893304D+01 -0.180756D+02
      3   0.645672D+01 -0.123019D+02 -0.135796D+02 -0.121525D+02 -0.123650D+02
      4   0.134974D+02  0.150288D+02  0.123010D+02  0.318790D+02  0.179556D+02
      5   0.295928D+02  0.832142D+01  0.692491D+01 -0.332438D+02  0.415113D+01
      6   0.840300D+01  0.163951D+01 -0.114691D+01 -0.212472D+01 -0.204838D+00
                81            82            83            84            85 
      1  -0.256949D+02 -0.375608D+02  0.346407D+01  0.993974D+01  0.546808D+01
      2   0.180611D+02  0.350559D+02  0.947236D+01 -0.875597D+01  0.860379D+01
      3   0.763382D+01  0.250499D+01 -0.129364D+02 -0.118377D+01 -0.140719D+02
      4  -0.223903D+00  0.174923D+02  0.172789D+02  0.572262D+00  0.224624D+02
      5  -0.114360D+02  0.117297D+02  0.294909D+01  0.198998D+01  0.267433D+01
      6   0.535008D+01  0.178969D+02 -0.590250D+00 -0.406474D-01  0.180897D+01
                86            87            88            89            90 
      1   0.891010D+01 -0.413706D+01  0.233782D+02  0.755887D+00  0.238598D+02
      2  -0.263984D+01  0.127142D+02 -0.196809D+02  0.115359D+02 -0.189402D+02
      3  -0.627026D+01 -0.857713D+01 -0.369729D+01 -0.122918D+02 -0.491961D+01
      4   0.304620D+01 -0.497463D+01 -0.192796D+01 -0.916043D+01 -0.149346D+02
      5   0.264068D+01 -0.120536D+02  0.433683D-01 -0.179256D+02 -0.723629D+01
      6  -0.258168D+00 -0.170646D+02 -0.538229D+01 -0.282495D+02 -0.190011D+02
                91            92            93            94            95 
      1  -0.594859D+02  0.585912D+00 -0.343152D+02 -0.105253D+02  0.229145D+02
      2   0.370253D+02 -0.671232D+01  0.831170D+01  0.302197D+01 -0.241907D+02
      3   0.224605D+02  0.612641D+01  0.260035D+02  0.750328D+01  0.127619D+01
      4   0.145145D+01  0.163176D+02  0.721577D+00  0.120130D+02  0.257721D+02
      5  -0.312701D+02 -0.157418D+01  0.998926D+01 -0.828217D+01  0.424993D+01
      6  -0.443154D+00  0.565967D+01 -0.271955D+00  0.446181D+01  0.789444D+01
                96            97            98            99           100 
      1   0.335013D+01 -0.191650D+02  0.560303D+01  0.190692D+02  0.402101D+02
      2   0.901524D+01  0.267902D+01  0.279564D+00 -0.418623D+01 -0.261375D+02
      3  -0.123654D+02  0.164859D+02 -0.588260D+01 -0.148830D+02 -0.140726D+02
      4   0.171474D+01 -0.405501D+01  0.590424D+01 -0.167770D+02  0.198321D+01
      5  -0.162095D+02  0.156932D+02 -0.140164D+02  0.708762D+01  0.273723D+02
      6   0.245405D+01 -0.272069D+01  0.616455D+01 -0.101983D+02  0.487713D-01
               101           102           103           104           105 
      1  -0.156518D+01  0.182154D+02 -0.105862D+02  0.373546D+01 -0.816478D+01
      2   0.165513D+01 -0.140596D+02  0.747211D+01 -0.308408D+01  0.634237D+01
      3  -0.899542D-01 -0.415580D+01  0.311413D+01 -0.651384D+00  0.182241D+01
      4   0.627914D+01 -0.180510D+01  0.837342D+01 -0.661254D+01  0.509807D+01
      5  -0.403008D+01  0.231845D+02 -0.113070D+02  0.685433D+01 -0.930212D+01
      6   0.103668D+01  0.145141D+01  0.218472D+01 -0.184226D+01  0.360920D+01
               106           107           108           109           110 
      1   0.278224D+02 -0.545859D+01  0.187475D+02  0.552644D+02  0.164301D+02
      2  -0.233233D+02  0.509729D+01 -0.222982D+02 -0.254635D+02 -0.508667D+01
      3  -0.449905D+01  0.361306D+00  0.355068D+01 -0.298010D+02 -0.113434D+02
      4  -0.255797D+01  0.737729D+01 -0.159255D+00  0.293442D+02  0.167619D+02
      5   0.358892D+02 -0.321987D+01  0.375635D+02 -0.185634D+02 -0.808776D+01
      6   0.157239D+01  0.379697D+01  0.197895D+01 -0.693850D+01 -0.353549D+01
               111           112           113           114           115 
      1  -0.150969D+02  0.174588D+02  0.728337D+01 -0.733536D+01 -0.304473D+02
      2   0.662476D+01 -0.447727D+01  0.222295D+01  0.255120D+01  0.140927D+02
      3   0.847213D+01 -0.129815D+02 -0.950633D+01  0.478416D+01  0.163546D+02
      4  -0.107714D+02  0.212814D+02  0.173340D+02 -0.944259D+01 -0.206331D+02
      5   0.169367D+02 -0.954019D+01 -0.778706D+01  0.607017D+01  0.266205D+02
      6   0.396121D+01 -0.487275D+01 -0.321187D+01  0.486816D+01  0.797055D+01
               116           117           118           119           120 
      1  -0.111245D+02  0.169946D+02  0.126396D+01 -0.742727D+00  0.199447D+01
      2   0.368998D+01 -0.111254D+02 -0.393279D+01  0.334513D+00 -0.998790D-01
      3   0.743453D+01 -0.586919D+01  0.266883D+01  0.408214D+00 -0.189459D+01
      4  -0.162375D+02  0.116294D+02 -0.184798D+01  0.291435D+01 -0.170812D+00
      5   0.847201D+01 -0.201607D+02  0.143592D+01 -0.103855D+01  0.627259D+01
      6   0.560371D+01 -0.761641D+01 -0.183706D+01  0.760134D-01  0.399709D+00
               121           122           123           124           125 
      1   0.124475D+01 -0.710531D+01  0.692624D+01  0.200981D+00  0.477214D+01
      2  -0.131036D-01  0.198120D+01  0.489293D+00 -0.827386D+00  0.273399D+01
      3  -0.123164D+01  0.512411D+01 -0.741554D+01  0.626405D+00 -0.750614D+01
      4   0.306624D+01 -0.297832D+01  0.275944D+01 -0.152260D+00  0.461079D+01
      5  -0.138067D+01  0.222447D+01 -0.456059D+01  0.538785D+01 -0.302221D+01
      6   0.411680D+00 -0.544159D+01  0.725383D+01 -0.293110D+00  0.601035D+01
               126           127           128           129           130 
      1  -0.196810D+02 -0.116084D+01  0.750918D+01 -0.323774D+01  0.571100D+01
      2  -0.105326D+02  0.312287D+01 -0.106913D+02  0.367671D+01 -0.596556D+01
      3   0.302136D+02 -0.196203D+01  0.318209D+01 -0.438971D+00  0.254564D+00
      4  -0.410401D+01 -0.198960D+01  0.146761D+01 -0.193851D+01  0.384178D+01
      5   0.107720D+02 -0.143633D+01  0.462525D+00 -0.225367D+00  0.609827D+00
      6  -0.611935D+01 -0.439079D+01  0.130595D+01 -0.228729D+01  0.477278D+00
               131           132           133           134           135 
      1  -0.238885D+02  0.652523D+01 -0.672174D+01  0.128731D+02 -0.119029D+02
      2   0.367763D+02 -0.117644D+02  0.467300D+01 -0.213883D+02  0.130256D+02
      3  -0.128878D+02  0.523912D+01  0.204875D+01  0.851515D+01 -0.112273D+01
      4   0.122507D+02 -0.339177D+01 -0.415209D+01 -0.719763D+01  0.474805D+01
      5  -0.554284D+01  0.551056D+01 -0.434739D+00  0.718668D+01 -0.622417D+01
      6  -0.667530D+01  0.997299D+01 -0.672651D+00  0.120112D+02 -0.806745D+01
               136           137           138           139           140 
      1   0.441592D+01  0.455033D+01  0.346721D+01  0.249697D+01 -0.206224D+02
      2  -0.455655D+01 -0.329459D+01 -0.120823D+01 -0.161811D+01  0.197285D+02
      3   0.140630D+00 -0.125574D+01 -0.225898D+01 -0.878855D+00  0.893957D+00
      4   0.501089D+01  0.557730D+01  0.521698D+01  0.667992D+01  0.156700D+02
      5   0.357187D+01  0.391988D+01  0.628659D+01  0.351112D+01  0.108710D+02
      6   0.412190D+01  0.255032D+00  0.271173D+00  0.318719D+01  0.231743D+02
               141           142           143           144           145 
      1  -0.133625D+02 -0.118393D+01 -0.225054D+02 -0.284666D+02 -0.265823D+01
      2   0.903756D+01  0.130891D+01  0.124279D+02  0.613581D+01 -0.629008D+00
      3   0.432491D+01 -0.124972D+00  0.100774D+02  0.223308D+02  0.328724D+01
      4   0.107383D+02  0.975512D+01  0.163431D+02  0.159181D+02  0.121797D+01
      5   0.104824D+02  0.100959D+02  0.180186D+02  0.228640D+02 -0.221238D+01
      6   0.217199D+02  0.695380D+01  0.319684D+02  0.363288D+02 -0.205803D+01
               146           147           148           149           150 
      1   0.289787D+01 -0.575862D+01  0.338769D+01 -0.134234D+02  0.991222D+01
      2  -0.262983D+00  0.154180D+01 -0.142318D+01  0.516705D+01  0.350975D+01
      3  -0.263489D+01  0.421682D+01 -0.196450D+01  0.825631D+01 -0.134220D+02
      4  -0.839073D-01  0.861798D+00  0.298150D+00  0.188008D+02 -0.812291D+01
      5  -0.854796D+00  0.394098D+01 -0.346642D+01 -0.530451D+01  0.810232D+01
      6   0.444460D+01 -0.227941D+01  0.314607D+01 -0.227124D+02  0.132056D+02
               151           152           153           154           155 
      1  -0.316714D+01  0.682863D+01 -0.727246D+01  0.251785D+02 -0.454276D+01
      2   0.141544D+01  0.136595D+01 -0.277953D+01 -0.236150D+02  0.363266D+01
      3   0.175170D+01 -0.819458D+01  0.100520D+02 -0.156353D+01  0.910099D+00
      4   0.356721D+00 -0.512920D+01  0.464889D+01 -0.127545D+02  0.947393D+01
      5   0.451315D+01  0.320027D+01 -0.399914D+01 -0.406978D+02  0.997736D+01
      6  -0.183378D+01  0.113235D+02 -0.811627D+01  0.887130D+01 -0.649941D+01
               156           157           158           159           160 
      1  -0.901202D+01 -0.476221D+01  0.272100D+00 -0.602294D+00 -0.662673D+01
      2   0.189512D+02  0.389386D+01 -0.182276D+01 -0.334404D+01  0.148825D+02
      3  -0.993918D+01  0.868347D+00  0.155066D+01  0.394634D+01 -0.825576D+01
      4   0.791099D+01  0.908359D+01 -0.572346D+01 -0.802419D+01  0.569444D+01
      5   0.352596D+02  0.106328D+02 -0.903199D+01 -0.972360D+01  0.271450D+02
      6  -0.687778D+01 -0.590764D+01  0.471595D+01  0.865163D+01 -0.526753D+01
               161           162           163           164           165 
      1  -0.528139D+00  0.150855D+01 -0.117869D+02 -0.101561D+02 -0.142314D+02
      2  -0.220444D+01 -0.164226D+02  0.242288D+01  0.529832D+01  0.564672D+00
      3   0.273258D+01  0.149141D+02  0.936403D+01  0.485774D+01  0.136668D+02
      4  -0.484485D+01 -0.682809D+01  0.181706D-01 -0.122184D+01  0.143609D+00
      5  -0.693234D+01 -0.287154D+02  0.752161D+01  0.476972D+01  0.399313D+01
      6   0.645836D+01  0.740795D+01  0.896583D+01  0.962871D+01  0.689050D+01
               166           167           168           169           170 
      1  -0.900634D+01 -0.141361D+02 -0.102085D+02 -0.746467D+01 -0.589932D+01
      2   0.513677D+01  0.821199D+01  0.443400D+00  0.443947D+00 -0.137181D+00
      3   0.386957D+01  0.592407D+01  0.976508D+01  0.702073D+01  0.603650D+01
      4   0.764358D-01 -0.193474D+01 -0.345099D+01  0.557882D+00 -0.188704D+01
      5   0.674678D+01  0.122050D+01 -0.181881D+01  0.657842D+01  0.849543D-01
      6   0.702252D+01  0.107919D+02  0.108812D+02  0.394134D+01  0.758581D+01
               171           172           173           174           175 
      1  -0.975949D+01  0.513672D+01 -0.503342D+01  0.383168D+01 -0.126294D+01
      2  -0.191637D+01 -0.187569D+01  0.269972D+01 -0.292498D+01  0.425106D+00
      3   0.116759D+02 -0.326103D+01  0.233370D+01 -0.906706D+00  0.837837D+00
      4  -0.156841D+01 -0.867978D+01  0.601894D+01 -0.421174D+01  0.402746D+01
      5   0.560569D+00  0.674829D+01 -0.245269D+01  0.108711D+02 -0.137078D+01
      6   0.707284D+01 -0.332081D+01  0.180998D+01 -0.526016D+01  0.216364D+01
               176           177           178           179           180 
      1  -0.356660D+01  0.323530D+01  0.441978D+01  0.483509D+01 -0.536316D+01
      2   0.282786D+01 -0.420028D+01 -0.363087D+01 -0.628489D+01 -0.781180D+01
      3   0.738741D+00  0.964980D+00 -0.788905D+00  0.144980D+01  0.131750D+02
      4  -0.256186D+01  0.603555D+01 -0.869331D+01  0.122822D+02 -0.146687D+02
      5   0.559991D+01 -0.405783D+01  0.159210D+02 -0.114276D+02  0.393608D+02
      6  -0.522182D+01  0.892159D+01 -0.927838D+01  0.134180D+02 -0.309962D+02
               181           182           183           184           185 
      1  -0.147694D+02 -0.246324D+02 -0.561147D+01 -0.156670D+02 -0.278114D+02
      2   0.155827D+02  0.289202D+02  0.417929D+01  0.160513D+02  0.374810D+02
      3  -0.813235D+00 -0.428778D+01  0.143218D+01 -0.384325D+00 -0.966954D+01
      4   0.521248D+01 -0.740872D+00  0.265588D+01  0.551744D+01 -0.708785D+01
      5  -0.333078D+01 -0.688310D+00 -0.110131D+01 -0.961012D+00 -0.320925D+01
      6   0.329432D+01  0.144382D+01  0.515857D+01  0.971437D+00  0.363004D+01
               186           187           188           189           190 
      1  -0.450611D+01 -0.594691D+01 -0.577461D+01 -0.587277D+01  0.450957D+02
      2   0.574734D+01  0.324057D+01  0.840329D+01  0.499705D+01 -0.116806D+02
      3  -0.124124D+01  0.270634D+01 -0.262869D+01  0.875718D+00 -0.334150D+02
      4  -0.144076D+01  0.380068D+01 -0.412149D+01 -0.228950D+01 -0.481160D+02
      5  -0.311349D+01  0.125104D+01 -0.364173D+01  0.103262D+01 -0.152529D+02
      6   0.642553D+01  0.197421D+01  0.745892D+01  0.162419D+01  0.977462D+01
               191           192           193           194           195 
      1  -0.165907D+02 -0.124350D+02 -0.119219D+02  0.445865D+01  0.115605D+01
      2  -0.150823D+01  0.441733D+01 -0.152321D+01  0.806769D+01  0.326407D+01
      3   0.180989D+02  0.801763D+01  0.134451D+02 -0.125263D+02 -0.442012D+01
      4   0.317368D+02  0.133985D+02  0.238813D+02 -0.204614D+02 -0.852963D+01
      5   0.639657D+01  0.135695D+02  0.520833D+01 -0.605702D+01 -0.436177D+01
      6  -0.532671D+01 -0.911168D+01 -0.409475D+01  0.569894D+01  0.529745D+01
               196           197           198           199           200 
      1  -0.161947D+02  0.305508D+01  0.755543D+01 -0.152933D+01 -0.175995D+01
      2   0.441985D+01  0.512598D+01 -0.331804D+01  0.188575D+01  0.155384D+01
      3   0.117748D+02 -0.818106D+01 -0.423739D+01 -0.356419D+00  0.206111D+00
      4   0.207160D+02 -0.166584D+02 -0.138962D+02 -0.150461D+01  0.175528D+01
      5   0.154487D+02 -0.880102D+01 -0.100968D+02  0.236946D+01 -0.153479D+01
      6  -0.105582D+02  0.772666D+01  0.678812D+01 -0.220296D+00  0.363345D+00
               201           202           203           204           205 
      1   0.149284D+01 -0.211360D+01 -0.310272D+01  0.565962D+01  0.297356D+01
      2  -0.108716D+01 -0.167122D+01  0.357614D+01 -0.318606D+01 -0.283031D+01
      3  -0.405679D+00  0.378482D+01 -0.473420D+00 -0.247357D+01 -0.143251D+00
      4  -0.220541D+01  0.161986D+01 -0.227259D+01  0.324512D+01 -0.243807D+01
      5   0.382400D+01 -0.134328D+01  0.152504D+01 -0.267037D+01  0.357535D+01
      6  -0.388012D+00  0.277358D+00 -0.444728D+01  0.388448D+01 -0.581050D+00
               206           207           208           209           210 
      1   0.600250D+01 -0.676299D+01  0.934018D-01  0.215537D+01 -0.343956D+01
      2  -0.501310D+01  0.132128D+01 -0.143292D+01 -0.101634D+01  0.710546D+00
      3  -0.989409D+00  0.544171D+01  0.133952D+01 -0.113903D+01  0.272901D+01
      4   0.379733D+01 -0.456045D+01  0.195436D+01  0.240376D+01 -0.207891D+01
      5  -0.370244D+01  0.566506D+01 -0.267186D+01 -0.233555D+01  0.482469D+01
      6   0.429581D+01 -0.668910D+01 -0.260477D+01  0.278726D+00  0.469323D-01
               211           212           213           214           215 
      1   0.282646D+01 -0.929440D+01  0.103628D+02 -0.284530D+01  0.989680D+01
      2  -0.375314D+01  0.403599D+01 -0.942449D+00  0.144171D+01 -0.245644D+01
      3   0.926676D+00  0.525841D+01 -0.942037D+01  0.140359D+01 -0.744035D+01
      4   0.398850D+00  0.542245D+01 -0.555201D+01 -0.280444D+01 -0.543467D+01
      5  -0.367407D+01 -0.672995D+01  0.976910D+01  0.332032D+01  0.793693D+01
      6  -0.499880D-01 -0.790271D+01  0.826915D+01  0.162234D+01  0.909393D+01
               216           217           218           219           220 
      1  -0.215021D+02  0.356779D+01 -0.940413D+01  0.481085D+01 -0.105982D+02
      2  -0.315879D+01  0.392581D+00  0.793575D+01 -0.922286D+00  0.498893D+01
      3   0.246609D+02 -0.396037D+01  0.146838D+01 -0.388856D+01  0.560923D+01
      4   0.684447D+01 -0.365987D+01 -0.314393D+01  0.104395D+01  0.718719D+01
      5  -0.185233D+02  0.111064D+01 -0.586736D+00 -0.358867D+01 -0.622681D+01
      6  -0.114052D+02 -0.153267D+01 -0.308583D+01  0.158462D+01  0.141556D+01
               221           222           223           224           225 
      1  -0.219158D+02  0.158854D+01  0.283651D+01  0.826566D+00 -0.655133D+01
      2   0.344621D+02 -0.779631D+00 -0.114340D+01  0.239793D+01  0.315929D+01
      3  -0.125463D+02 -0.808905D+00 -0.169311D+01 -0.322450D+01  0.339204D+01
      4  -0.478720D+02  0.588126D+01  0.189572D+01 -0.258729D+01 -0.338303D+01
      5   0.336133D+01 -0.937602D+01 -0.290966D+00 -0.361780D+01  0.904286D+00
      6  -0.164757D+02  0.737320D+01  0.214622D+00  0.509037D+01 -0.706002D+00
               226           227           228           229           230 
      1  -0.527200D+01  0.421688D+01  0.177140D+02  0.555194D+01 -0.979498D+01
      2  -0.211746D+01 -0.206130D+00  0.360701D+00 -0.224575D+01  0.389636D+01
      3   0.738946D+01 -0.401075D+01 -0.180747D+02 -0.330618D+01  0.589862D+01
      4   0.414502D+01 -0.558623D+01 -0.122770D+01 -0.191296D+01  0.185774D+01
      5   0.181059D+01  0.775326D+00 -0.879284D+01  0.256751D+01  0.466658D+01
      6   0.152934D+01 -0.356366D+01 -0.566133D+00 -0.181656D+01  0.316072D+01
               231           232           233           234           235 
      1  -0.719435D+01  0.175898D+02 -0.562802D+01 -0.260985D+02  0.867348D+02
      2  -0.402758D+01 -0.529705D+01 -0.166450D+01 -0.981162D+01 -0.483577D+02
      3   0.112219D+02 -0.122928D+02  0.729253D+01  0.359101D+02 -0.383770D+02
      4   0.635015D+01 -0.394354D+01  0.732976D+01  0.683554D+01 -0.139480D+02
      5   0.112465D+02  0.142726D+01  0.468726D+01  0.273897D+02  0.437084D+02
      6   0.663526D+01 -0.116378D+01  0.536735D+01  0.247065D+01 -0.137017D+01
               236           237           238           239           240 
      1  -0.372477D+01  0.225290D+02  0.418870D+01  0.665466D+01  0.907210D+00
      2   0.772553D+00 -0.161407D+02 -0.322183D+01 -0.186092D+01 -0.188490D+01
      3   0.295222D+01 -0.638827D+01 -0.966872D+00 -0.479374D+01  0.977693D+00
      4   0.124622D+02 -0.381942D+01  0.109632D+02 -0.311719D+01  0.367313D+01
      5  -0.201899D+01  0.242320D+02  0.263999D+01  0.473698D+01  0.349625D+01
      6   0.381363D+01 -0.182200D+01  0.376102D+01 -0.757140D+00  0.228580D+01
               241           242           243 
      1   0.133560D+02 -0.785330D+00  0.970250D+01
      2  -0.109965D+02 -0.174145D+00 -0.991404D+01
      3  -0.235949D+01  0.959475D+00  0.211538D+00
      4  -0.193272D+01  0.192948D+01 -0.877927D-01
      5   0.189109D+02  0.673854D+00  0.134437D+02
      6  -0.197832D+01  0.184363D+01 -0.478595D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 21:01:53 2021, MaxMem=  6442450944 cpu:           31862.9 elap:            3992.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46044 -10.52909 -10.46450 -10.45647 -10.44906
 Alpha  occ. eigenvalues --  -10.44691 -10.44241 -10.43907 -10.43649 -10.43390
 Alpha  occ. eigenvalues --  -10.42910  -1.17950  -1.02052  -0.94696  -0.89340
 Alpha  occ. eigenvalues --   -0.87549  -0.83294  -0.81619  -0.74936  -0.72907
 Alpha  occ. eigenvalues --   -0.67009  -0.64377  -0.60465  -0.60266  -0.58450
 Alpha  occ. eigenvalues --   -0.56871  -0.56064  -0.55478  -0.53540  -0.52175
 Alpha  occ. eigenvalues --   -0.50771  -0.50246  -0.49256  -0.48000  -0.47439
 Alpha  occ. eigenvalues --   -0.46783  -0.45907  -0.42518  -0.41651  -0.40528
 Alpha  occ. eigenvalues --   -0.36279  -0.35980
 Alpha virt. eigenvalues --   -0.01614  -0.00864  -0.00642  -0.00263   0.00852
 Alpha virt. eigenvalues --    0.00959   0.01409   0.01559   0.01653   0.02235
 Alpha virt. eigenvalues --    0.03107   0.03622   0.04041   0.04317   0.04827
 Alpha virt. eigenvalues --    0.05102   0.05285   0.06750   0.07390   0.07817
 Alpha virt. eigenvalues --    0.08627   0.09390   0.09639   0.10159   0.10640
 Alpha virt. eigenvalues --    0.10858   0.11126   0.11177   0.11678   0.12070
 Alpha virt. eigenvalues --    0.12653   0.12736   0.13451   0.13608   0.13930
 Alpha virt. eigenvalues --    0.14160   0.14296   0.14831   0.15139   0.15474
 Alpha virt. eigenvalues --    0.15865   0.16120   0.16594   0.17144   0.17174
 Alpha virt. eigenvalues --    0.17975   0.18619   0.19312   0.19676   0.20360
 Alpha virt. eigenvalues --    0.20650   0.21844   0.22256   0.22605   0.23325
 Alpha virt. eigenvalues --    0.23994   0.24363   0.24846   0.25880   0.26427
 Alpha virt. eigenvalues --    0.27145   0.27803   0.28108   0.28389   0.28795
 Alpha virt. eigenvalues --    0.29222   0.29615   0.30716   0.30734   0.31378
 Alpha virt. eigenvalues --    0.31752   0.32508   0.33079   0.33549   0.34184
 Alpha virt. eigenvalues --    0.34764   0.35150   0.35880   0.36655   0.36824
 Alpha virt. eigenvalues --    0.37069   0.37930   0.38141   0.38805   0.39858
 Alpha virt. eigenvalues --    0.40131   0.40562   0.40791   0.41522   0.41642
 Alpha virt. eigenvalues --    0.42185   0.42556   0.42854   0.43448   0.43730
 Alpha virt. eigenvalues --    0.44314   0.44668   0.45158   0.46035   0.46596
 Alpha virt. eigenvalues --    0.46884   0.47191   0.47625   0.48069   0.48691
 Alpha virt. eigenvalues --    0.49831   0.50685   0.50888   0.51924   0.52286
 Alpha virt. eigenvalues --    0.52399   0.53230   0.53938   0.54814   0.54865
 Alpha virt. eigenvalues --    0.55179   0.56276   0.56436   0.56955   0.57331
 Alpha virt. eigenvalues --    0.57538   0.58224   0.58551   0.59106   0.59553
 Alpha virt. eigenvalues --    0.60462   0.60551   0.60981   0.61187   0.61646
 Alpha virt. eigenvalues --    0.62141   0.62832   0.63100   0.63264   0.63793
 Alpha virt. eigenvalues --    0.65281   0.65495   0.66157   0.66652   0.67561
 Alpha virt. eigenvalues --    0.67764   0.69053   0.69702   0.69839   0.70286
 Alpha virt. eigenvalues --    0.70751   0.71548   0.71933   0.72350   0.73102
 Alpha virt. eigenvalues --    0.73386   0.74324   0.74699   0.75006   0.75666
 Alpha virt. eigenvalues --    0.75796   0.76515   0.77040   0.77353   0.77971
 Alpha virt. eigenvalues --    0.78459   0.79025   0.80034   0.80574   0.81341
 Alpha virt. eigenvalues --    0.81678   0.82440   0.83747   0.84315   0.84429
 Alpha virt. eigenvalues --    0.84543   0.85382   0.86418   0.87331   0.87735
 Alpha virt. eigenvalues --    0.88416   0.90870   0.91592   0.92884   0.93108
 Alpha virt. eigenvalues --    0.93216   0.94850   0.95411   0.96087   0.98177
 Alpha virt. eigenvalues --    0.98988   1.00671   1.01349   1.02798   1.02846
 Alpha virt. eigenvalues --    1.04525   1.05253   1.06281   1.06671   1.07670
 Alpha virt. eigenvalues --    1.09021   1.09502   1.11558   1.12906   1.14239
 Alpha virt. eigenvalues --    1.14626   1.16952   1.17405   1.18369   1.19501
 Alpha virt. eigenvalues --    1.20923   1.22001   1.22963   1.24151   1.25703
 Alpha virt. eigenvalues --    1.26597   1.27679   1.29441   1.30507   1.32513
 Alpha virt. eigenvalues --    1.33543   1.34758   1.35320   1.36517   1.39084
 Alpha virt. eigenvalues --    1.41807   1.43376   1.44992   1.46063   1.48609
 Alpha virt. eigenvalues --    1.49672   1.50732   1.51807   1.52972   1.53953
 Alpha virt. eigenvalues --    1.55652   1.56653   1.57137   1.58966   1.60583
 Alpha virt. eigenvalues --    1.60873   1.62307   1.63182   1.63928   1.66071
 Alpha virt. eigenvalues --    1.66532   1.67422   1.68971   1.70674   1.72149
 Alpha virt. eigenvalues --    1.72158   1.72951   1.74486   1.75616   1.76313
 Alpha virt. eigenvalues --    1.77098   1.77868   1.78524   1.80201   1.82336
 Alpha virt. eigenvalues --    1.82740   1.83034   1.85130   1.85679   1.86840
 Alpha virt. eigenvalues --    1.87365   1.88264   1.89421   1.89722   1.90925
 Alpha virt. eigenvalues --    1.93345   1.94541   1.95608   1.96100   1.96861
 Alpha virt. eigenvalues --    1.98657   1.99691   2.00698   2.02292   2.04511
 Alpha virt. eigenvalues --    2.05931   2.06126   2.06583   2.07919   2.09015
 Alpha virt. eigenvalues --    2.09797   2.10538   2.11777   2.12996   2.14146
 Alpha virt. eigenvalues --    2.15577   2.16215   2.17736   2.18441   2.18717
 Alpha virt. eigenvalues --    2.20167   2.20858   2.22665   2.23086   2.25725
 Alpha virt. eigenvalues --    2.27406   2.28169   2.28701   2.29759   2.30813
 Alpha virt. eigenvalues --    2.31857   2.33514   2.34776   2.37536   2.37849
 Alpha virt. eigenvalues --    2.39372   2.40270   2.41428   2.42984   2.44262
 Alpha virt. eigenvalues --    2.45714   2.47171   2.48899   2.50316   2.52623
 Alpha virt. eigenvalues --    2.52871   2.54517   2.54898   2.58226   2.58589
 Alpha virt. eigenvalues --    2.61599   2.62456   2.63513   2.64949   2.65463
 Alpha virt. eigenvalues --    2.66910   2.67617   2.68506   2.71629   2.73123
 Alpha virt. eigenvalues --    2.74556   2.77027   2.79437   2.81870   2.85384
 Alpha virt. eigenvalues --    2.87282   2.91234   2.93785   2.96536   2.99287
 Alpha virt. eigenvalues --    3.04911   3.08820   3.11428   3.22838   3.26711
 Alpha virt. eigenvalues --    3.36987   3.43815   3.50261   3.53319   3.54660
 Alpha virt. eigenvalues --    3.66514   3.71816   3.80948   4.01411   4.93444
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.472166  -0.769441  -0.285192  -0.715278   0.161776  -0.007175
     2  C   -0.769441  11.258656  -5.298102   2.273223  -0.904256  -0.057369
     3  C   -0.285192  -5.298102  33.025066 -14.660199  -0.238919  -0.269218
     4  C   -0.715278   2.273223 -14.660199  24.071425  -6.603018  -1.526044
     5  C    0.161776  -0.904256  -0.238919  -6.603018  18.886388  -3.182254
     6  C   -0.007175  -0.057369  -0.269218  -1.526044  -3.182254  10.348985
     7  O    0.000093  -0.001532  -0.020900  -0.145536  -0.175537   0.938250
     8  C   -0.274109  -0.686080   0.061610  -0.139762  -0.101210   0.016790
     9  C   -0.612696  -1.305937   1.567907  -0.048508   0.151203  -0.027678
    10  C    0.212972   1.722689  -3.456880   0.809941  -0.383853  -0.031478
    11  C   -0.009135   0.021896  -0.271458  -0.190913   0.016021   0.178044
    12  H    0.117886   0.221781  -0.413659   0.192308   0.038452  -0.001363
    13  H    0.002868  -0.145617   0.461523  -0.139807  -0.000503   0.001314
    14  H    0.189001   0.856615  -4.862901   1.800701   0.024748  -0.060022
    15  H    0.234921   0.098176  -0.623236  -0.103156   0.184666  -0.022191
    16  H   -0.119879  -0.132260   0.143146   0.548078  -0.123151   0.012895
    17  H   -0.214247   0.757760   0.200637  -0.263370   0.018684  -0.017137
    18  H    0.070441  -0.197017   0.165127  -0.028188   0.028212   0.002946
    19  H    0.388779  -0.148757  -0.710786   0.372088   0.001646   0.011967
    20  H   -0.095148   0.542071  -0.365866   0.187573  -0.048708   0.002927
    21  H    0.029969  -0.141277   0.068570  -0.049859   0.007675  -0.005284
    22  H    0.065981  -0.227014   0.287215  -0.050840   0.005775   0.001309
    23  H    0.072116  -0.128854   0.383675  -1.744694  -1.202732   0.187408
    24  H    0.016365   0.014315  -0.035357   1.195763  -2.046320  -0.065106
    25  H    0.001815  -0.011824   0.006351   0.052213  -0.196771   0.042371
    26  H   -0.018533   0.022938  -0.003375   0.051425  -0.209815   0.036872
    27  H    0.000954  -0.000204   0.016516  -0.030296   0.399713  -0.004662
               7          8          9         10         11         12
     1  C    0.000093  -0.274109  -0.612696   0.212972  -0.009135   0.117886
     2  C   -0.001532  -0.686080  -1.305937   1.722689   0.021896   0.221781
     3  C   -0.020900   0.061610   1.567907  -3.456880  -0.271458  -0.413659
     4  C   -0.145536  -0.139762  -0.048508   0.809941  -0.190913   0.192308
     5  C   -0.175537  -0.101210   0.151203  -0.383853   0.016021   0.038452
     6  C    0.938250   0.016790  -0.027678  -0.031478   0.178044  -0.001363
     7  O    7.783863  -0.000642  -0.000586   0.000755  -0.021725   0.000027
     8  C   -0.000642   6.554413  -0.522821  -0.011174  -0.006301  -0.236292
     9  C   -0.000586  -0.522821   8.025995  -1.194993  -0.011084  -0.367553
    10  C    0.000755  -0.011174  -1.194993   8.263097  -0.028597  -0.075337
    11  C   -0.021725  -0.006301  -0.011084  -0.028597   5.143462   0.001575
    12  H    0.000027  -0.236292  -0.367553  -0.075337   0.001575   2.759675
    13  H   -0.000014   0.084439  -0.520772   0.049877  -0.000813  -0.814732
    14  H    0.000031  -0.231842  -0.269417   0.143967   0.024242   0.077338
    15  H    0.000098   0.019409  -0.150849  -0.254478   0.003326   0.284886
    16  H   -0.000337   0.050263   0.094597  -0.383477  -0.001321  -0.254109
    17  H    0.000149  -0.007182  -0.233437  -0.082937   0.001999  -0.001508
    18  H    0.000001   0.001318   0.200379  -0.062579   0.002124   0.054231
    19  H   -0.000253  -0.009649  -0.122383   0.161070  -0.004449  -0.007335
    20  H    0.000053  -0.046711  -0.160491   0.274497  -0.000506  -0.070040
    21  H    0.000123   0.547232  -0.117549  -0.037803  -0.002143   0.002293
    22  H   -0.000129  -0.079880   0.208153  -0.105725  -0.000215  -0.028105
    23  H   -0.010288  -0.104905   0.099457  -0.373721  -0.014805  -0.003680
    24  H   -0.097044   0.000528  -0.000374   0.012187  -0.076656  -0.000474
    25  H    0.025409   0.002999  -0.001641  -0.008755   0.415824  -0.000018
    26  H    0.025107  -0.004532   0.003114  -0.013649   0.434875   0.000393
    27  H   -0.048469   0.000388  -0.000556   0.004366  -0.096827   0.000065
              13         14         15         16         17         18
     1  C    0.002868   0.189001   0.234921  -0.119879  -0.214247   0.070441
     2  C   -0.145617   0.856615   0.098176  -0.132260   0.757760  -0.197017
     3  C    0.461523  -4.862901  -0.623236   0.143146   0.200637   0.165127
     4  C   -0.139807   1.800701  -0.103156   0.548078  -0.263370  -0.028188
     5  C   -0.000503   0.024748   0.184666  -0.123151   0.018684   0.028212
     6  C    0.001314  -0.060022  -0.022191   0.012895  -0.017137   0.002946
     7  O   -0.000014   0.000031   0.000098  -0.000337   0.000149   0.000001
     8  C    0.084439  -0.231842   0.019409   0.050263  -0.007182   0.001318
     9  C   -0.520772  -0.269417  -0.150849   0.094597  -0.233437   0.200379
    10  C    0.049877   0.143967  -0.254478  -0.383477  -0.082937  -0.062579
    11  C   -0.000813   0.024242   0.003326  -0.001321   0.001999   0.002124
    12  H   -0.814732   0.077338   0.284886  -0.254109  -0.001508   0.054231
    13  H    2.563401   0.008218  -0.327457   0.205137  -0.041426  -0.072603
    14  H    0.008218   4.237963   0.175450  -0.178018   0.013456  -0.008433
    15  H   -0.327457   0.175450   2.984182  -0.827865  -0.049184   0.041011
    16  H    0.205137  -0.178018  -0.827865   2.336199  -0.021767  -0.008736
    17  H   -0.041426   0.013456  -0.049184  -0.021767   2.624642  -0.635097
    18  H   -0.072603  -0.008433   0.041011  -0.008736  -0.635097   2.278044
    19  H    0.033844   0.038212   0.009453   0.006116  -0.666209  -0.554824
    20  H    0.020956  -0.164834   0.006460   0.022040  -0.038550   0.015484
    21  H   -0.005101  -0.014414  -0.006742   0.002326   0.034321   0.021728
    22  H    0.027137   0.047456  -0.007922   0.000848   0.014826  -0.054595
    23  H    0.020101   0.132361  -0.175201   0.042757  -0.118865  -0.006751
    24  H   -0.000840  -0.118630   0.001366   0.005246  -0.015154   0.003317
    25  H   -0.000004   0.000438  -0.003137  -0.000375   0.003075   0.001120
    26  H   -0.000351  -0.000832  -0.000959  -0.000979   0.002255  -0.000291
    27  H   -0.000038   0.000563   0.001970   0.000288   0.000643  -0.000022
              19         20         21         22         23         24
     1  C    0.388779  -0.095148   0.029969   0.065981   0.072116   0.016365
     2  C   -0.148757   0.542071  -0.141277  -0.227014  -0.128854   0.014315
     3  C   -0.710786  -0.365866   0.068570   0.287215   0.383675  -0.035357
     4  C    0.372088   0.187573  -0.049859  -0.050840  -1.744694   1.195763
     5  C    0.001646  -0.048708   0.007675   0.005775  -1.202732  -2.046320
     6  C    0.011967   0.002927  -0.005284   0.001309   0.187408  -0.065106
     7  O   -0.000253   0.000053   0.000123  -0.000129  -0.010288  -0.097044
     8  C   -0.009649  -0.046711   0.547232  -0.079880  -0.104905   0.000528
     9  C   -0.122383  -0.160491  -0.117549   0.208153   0.099457  -0.000374
    10  C    0.161070   0.274497  -0.037803  -0.105725  -0.373721   0.012187
    11  C   -0.004449  -0.000506  -0.002143  -0.000215  -0.014805  -0.076656
    12  H   -0.007335  -0.070040   0.002293  -0.028105  -0.003680  -0.000474
    13  H    0.033844   0.020956  -0.005101   0.027137   0.020101  -0.000840
    14  H    0.038212  -0.164834  -0.014414   0.047456   0.132361  -0.118630
    15  H    0.009453   0.006460  -0.006742  -0.007922  -0.175201   0.001366
    16  H    0.006116   0.022040   0.002326   0.000848   0.042757   0.005246
    17  H   -0.666209  -0.038550   0.034321   0.014826  -0.118865  -0.015154
    18  H   -0.554824   0.015484   0.021728  -0.054595  -0.006751   0.003317
    19  H    2.364417   0.023663  -0.091451   0.032050   0.039157   0.010914
    20  H    0.023663   2.089856  -0.451038  -0.489552  -0.004335   0.012194
    21  H   -0.091451  -0.451038   1.676526  -0.345494  -0.013131  -0.006990
    22  H    0.032050  -0.489552  -0.345494   1.818193  -0.000121  -0.001288
    23  H    0.039157  -0.004335  -0.013131  -0.000121   5.085042   0.251076
    24  H    0.010914   0.012194  -0.006990  -0.001288   0.251076   2.675604
    25  H   -0.004165   0.000051   0.000900  -0.000125  -0.068263  -0.020587
    26  H   -0.013173  -0.000659   0.000113   0.000089  -0.059997  -0.018437
    27  H    0.002795   0.000100  -0.000530   0.000105  -0.006669   0.008644
              25         26         27
     1  C    0.001815  -0.018533   0.000954
     2  C   -0.011824   0.022938  -0.000204
     3  C    0.006351  -0.003375   0.016516
     4  C    0.052213   0.051425  -0.030296
     5  C   -0.196771  -0.209815   0.399713
     6  C    0.042371   0.036872  -0.004662
     7  O    0.025409   0.025107  -0.048469
     8  C    0.002999  -0.004532   0.000388
     9  C   -0.001641   0.003114  -0.000556
    10  C   -0.008755  -0.013649   0.004366
    11  C    0.415824   0.434875  -0.096827
    12  H   -0.000018   0.000393   0.000065
    13  H   -0.000004  -0.000351  -0.000038
    14  H    0.000438  -0.000832   0.000563
    15  H   -0.003137  -0.000959   0.001970
    16  H   -0.000375  -0.000979   0.000288
    17  H    0.003075   0.002255   0.000643
    18  H    0.001120  -0.000291  -0.000022
    19  H   -0.004165  -0.013173   0.002795
    20  H    0.000051  -0.000659   0.000100
    21  H    0.000900   0.000113  -0.000530
    22  H   -0.000125   0.000089   0.000105
    23  H   -0.068263  -0.059997  -0.006669
    24  H   -0.020587  -0.018437   0.008644
    25  H    1.157822  -0.108647  -0.316008
    26  H   -0.108647   1.165933  -0.324101
    27  H   -0.316008  -0.324101   1.633863
 Mulliken charges:
               1
     1  C    1.082727
     2  C   -1.634579
     3  C    1.128704
     4  C    0.884729
     5  C    1.492088
     6  C   -0.505096
     7  O   -0.250966
     8  C    1.123704
     9  C    1.318518
    10  C    0.850018
    11  C    0.493562
    12  H   -0.476705
    13  H   -0.408737
    14  H   -0.861418
    15  H   -0.492998
    16  H   -0.417661
    17  H   -0.266378
    18  H   -0.256344
    19  H   -0.162738
    20  H   -0.261487
    21  H   -0.102969
    22  H   -0.118133
    23  H   -1.276140
    24  H   -0.704262
    25  H    0.029934
    26  H    0.035218
    27  H   -0.242591
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.397267
     2  C   -1.634579
     3  C    0.267286
     4  C   -0.391411
     5  C    0.787826
     6  C   -0.505096
     7  O   -0.250966
     8  C    0.641114
     9  C    0.433076
    10  C   -0.060641
    11  C    0.316124
 Electronic spatial extent (au):  <R**2>=           2482.0260
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6637    Y=             -1.5065    Z=              1.6363  Tot=              4.2860
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.3508   YY=            -69.7235   ZZ=            -67.8094
   XY=             -6.0359   XZ=              7.2077   YZ=             -0.0514
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.7229   YY=              3.9044   ZZ=              5.8185
   XY=             -6.0359   XZ=              7.2077   YZ=             -0.0514
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -63.1181  YYY=             -0.9431  ZZZ=             -4.0006  XYY=              1.0315
  XXY=            -22.7193  XXZ=             28.8744  XZZ=             -0.3669  YZZ=              0.5157
  YYZ=              1.8590  XYZ=              2.8703
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2790.0641 YYYY=           -466.6624 ZZZZ=           -421.6685 XXXY=           -100.2760
 XXXZ=            103.2081 YYYX=              4.5619 YYYZ=             -2.9230 ZZZX=              4.4697
 ZZZY=             -1.0562 XXYY=           -506.2912 XXZZ=           -484.7594 YYZZ=           -146.5424
 XXYZ=             15.2837 YYXZ=              0.9251 ZZXY=              0.8390
 N-N= 6.081382990542D+02 E-N=-2.296977458776D+03  KE= 4.625461886038D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 21:01:54 2021, MaxMem=  6442450944 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.42079279D+00-5.59810245D-01 5.92930608D-01
 Polarizability= 1.60911171D+02 7.13297168D+00 1.05896492D+02
                -3.02958785D+00-4.33051648D+00 1.07218356D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.2281    2.2271        4.1163    4.1147
 2     -2.2281   -2.2271        2.1878    2.1921      -29.3962  -29.3989
 3     -4.1163   -4.1147       28.9338   28.9316       -2.1841   -2.1921
 4     -2.1878   -2.1921        0.0000    0.0000       -4.1196   -4.1147
 5      0.4624    0.4673        4.1196    4.1147        2.2273    2.2271
 6      2.1841    2.1921       -2.2273   -2.2271        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.6813   -6.6813       12.3442   12.3442
 2     -6.5764   -6.5764       -0.0000    0.0000       12.3442   12.3442
 3     -6.5764   -6.5764       -6.6813   -6.6813        0.0000    0.0000
 4     -6.6813   -6.6813        6.5764    6.5764      -88.1967  -88.1967
 5    -12.3442  -12.3442       86.7947   86.7947       -6.5764   -6.5764
 6      1.4020    1.4020       12.3442   12.3442        6.6813    6.6813
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3577    0.0000       -9.2198   -8.9084      -16.4066  -16.4590
 2      9.0982    8.9084       -8.4180   -8.7686      117.8675  117.5955
 3     16.5028   16.4590     -115.3392 -115.7263        8.8521    8.7686
 4      8.5833    8.7686        0.0585    0.0000       16.6721   16.4590
 5     -1.7426   -1.8693      -16.4409  -16.4590       -9.2187   -8.9084
 6     -8.9326   -8.7686        9.3752    8.9084       -0.0029    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0856    0.0000      -27.0168  -27.2406      -27.1549  -26.3919
 2     26.6630   27.2406       15.9051   16.7278       17.8879   18.4886
 3     26.7879   26.3919       57.9216   57.6236      -16.7026  -16.7278
 4    -17.1493  -16.7278        0.0554    0.0000       25.6803   26.3919
 5    -76.3795  -76.1123      -26.3119  -26.3919      -26.3439  -27.2406
 6     17.2607   16.7278       27.1729   27.2406        0.9365    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -29.7545  -29.7496      -40.4603  -39.5345      -12.3742  -12.6651
 2    -43.3228  -43.1188      -64.4290  -63.5396      -13.4651  -12.6651
 3    -43.5650  -43.1188      -40.2668  -39.5345       -5.2306   -4.9346
 4     22.8042   24.0051       13.2837   13.3692       42.8015   42.9117
 5      8.4235    7.7306       58.3217   58.1967      -13.2583  -13.3692
 6   -101.4014 -101.1085       -7.0196   -7.7306      -23.3990  -24.0051
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0003    0.0001    0.0008    2.3280    3.9918    9.0403
 Low frequencies ---   34.0682   64.4603   81.0821
 Diagonal vibrational polarizability:
       18.5500352      56.4003859      26.6129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.0659                64.4602                81.0789
 Red. masses --      4.0708                 3.1521                 2.9689
 Frc consts  --      0.0028                 0.0077                 0.0115
 IR Inten    --      3.2274                 0.4045                 1.5043
 RamAct Fr= 1--      2.5856                 0.9451                 0.3247
  Dep-P Fr= 1--      0.7308                 0.7158                 0.4777
  Dep-U Fr= 1--      0.8444                 0.8343                 0.6465
 Alpha2 Fr= 1--      0.0009                 0.0006                 0.0018
 Beta2  Fr= 1--      0.3639                 0.1314                 0.0350
 AlphaG Fr= 1--     -0.0021                 0.0014                 0.0045
 Gamma2 Fr= 1--     -0.0518                 0.1187                 0.1087
 Delta2 Fr= 1--      0.0294                -0.0409                 0.0052
 Raman1 Fr= 1--      10.342                  3.780                  1.299
 ROA1   Fr= 1--      -4.029                 10.092                 10.601
 CID1   Fr= 1--      -0.390                  2.669                  8.162
 Raman2 Fr= 1--       4.367                  1.577                  0.420
 ROA2   Fr= 1--      -1.478                  3.177                  2.566
 CID2   Fr= 1--      -0.338                  2.015                  6.112
 Raman3 Fr= 1--       8.733                  3.154                  0.840
 ROA3   Fr= 1--      -4.029                 10.092                 10.601
 CID3   Fr= 1--      -0.461                  3.199                 12.624
 RC180  Fr= 1--       0.689                  0.669                  0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.09  -0.03     0.05  -0.12  -0.00     0.22   0.04  -0.01
     2   6     0.05   0.01  -0.03     0.06  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.10  -0.03    -0.01  -0.09  -0.03    -0.02   0.03  -0.10
     4   6    -0.01  -0.12  -0.05    -0.01  -0.12  -0.05    -0.01   0.01  -0.13
     5   6    -0.04   0.00   0.02    -0.03  -0.07  -0.03     0.01   0.03  -0.07
     6   6    -0.04   0.04   0.03    -0.04   0.04   0.00    -0.03  -0.01   0.03
     7   8    -0.09   0.25   0.16    -0.05   0.02  -0.03     0.04  -0.06   0.09
     8   6     0.12   0.01  -0.11     0.21   0.04   0.08    -0.08  -0.04   0.02
     9   6    -0.03   0.03   0.07    -0.04   0.09  -0.04     0.02  -0.05   0.14
    10   6    -0.08  -0.06   0.07    -0.11  -0.02  -0.02    -0.00   0.02  -0.08
    11   6     0.02  -0.18  -0.11    -0.05   0.21   0.11    -0.17   0.03   0.08
    12   1    -0.04   0.01   0.08     0.02   0.16  -0.05    -0.15  -0.07   0.25
    13   1    -0.02   0.11   0.12    -0.11   0.15  -0.07     0.17  -0.11   0.25
    14   1    -0.02  -0.15  -0.05    -0.01  -0.09  -0.03    -0.06   0.07  -0.09
    15   1    -0.10  -0.03   0.10    -0.18  -0.04  -0.01     0.12  -0.03  -0.17
    16   1    -0.15  -0.11   0.10    -0.15  -0.03  -0.02    -0.12   0.09  -0.11
    17   1     0.05   0.10   0.03    -0.04  -0.15  -0.06     0.29   0.06  -0.01
    18   1     0.14   0.18  -0.01     0.08  -0.06   0.01     0.27   0.03   0.08
    19   1     0.15   0.06  -0.10     0.11  -0.21   0.03     0.24   0.08  -0.13
    20   1     0.08  -0.05  -0.10     0.20   0.11   0.08    -0.21  -0.07   0.04
    21   1     0.17  -0.03  -0.18     0.30  -0.07   0.09    -0.09   0.01  -0.10
    22   1     0.16   0.09  -0.09     0.26   0.12   0.11    -0.04  -0.07   0.11
    23   1     0.02  -0.22  -0.11     0.00  -0.12  -0.05    -0.02  -0.03  -0.16
    24   1    -0.07   0.11   0.09    -0.04  -0.08  -0.04     0.06   0.07  -0.05
    25   1     0.11  -0.18  -0.31    -0.05   0.20   0.26    -0.23   0.04   0.12
    26   1    -0.03  -0.38  -0.03    -0.05   0.33   0.04    -0.19   0.11   0.02
    27   1     0.01  -0.13  -0.09    -0.05   0.24   0.10    -0.18  -0.02   0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.2661               147.2191               161.0704
 Red. masses --      1.0300                 3.3943                 2.8014
 Frc consts  --      0.0094                 0.0433                 0.0428
 IR Inten    --      0.0338                 1.4184                 2.0693
 RamAct Fr= 1--      0.0632                 0.8755                 0.3569
  Dep-P Fr= 1--      0.6983                 0.6662                 0.4756
  Dep-U Fr= 1--      0.8224                 0.7997                 0.6446
 Alpha2 Fr= 1--      0.0001                 0.0013                 0.0020
 Beta2  Fr= 1--      0.0087                 0.1167                 0.0383
 AlphaG Fr= 1--     -0.0004                -0.0284                -0.0106
 Gamma2 Fr= 1--     -0.0487                -0.0419                -0.3063
 Delta2 Fr= 1--     -0.0099                 0.1142                -0.1999
 Raman1 Fr= 1--       0.253                  3.502                  1.428
 ROA1   Fr= 1--      -4.995                 -0.368                -35.800
 CID1   Fr= 1--     -19.767                 -0.105                -25.079
 Raman2 Fr= 1--       0.104                  1.400                  0.460
 ROA2   Fr= 1--      -1.091                 -1.920                 -5.752
 CID2   Fr= 1--     -10.499                 -1.371                -12.502
 Raman3 Fr= 1--       0.208                  2.801                  0.920
 ROA3   Fr= 1--      -4.995                 -0.368                -35.800
 CID3   Fr= 1--     -24.038                 -0.131                -38.905
 RC180  Fr= 1--       0.645                  0.599                  0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03   0.01  -0.02    -0.03  -0.08  -0.02
     2   6     0.00   0.00   0.00     0.01  -0.02  -0.01     0.00  -0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.05   0.02     0.02   0.11  -0.07
     5   6     0.00  -0.00  -0.01    -0.08   0.29   0.23    -0.00   0.16  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.06   0.05    -0.03   0.04  -0.03
     7   8     0.01  -0.03  -0.01    -0.00  -0.14  -0.12     0.07  -0.05   0.03
     8   6     0.00   0.00   0.01     0.05  -0.03  -0.06     0.07   0.02   0.04
     9   6     0.00   0.00   0.00    -0.01  -0.02   0.01     0.02  -0.00  -0.05
    10   6    -0.00   0.00   0.00    -0.03  -0.02  -0.05     0.06  -0.07   0.20
    11   6    -0.01   0.01   0.01     0.04   0.01   0.00    -0.18  -0.05  -0.04
    12   1     0.00   0.00   0.00    -0.05  -0.01   0.04     0.19  -0.05  -0.18
    13   1    -0.00   0.00   0.00     0.02  -0.03   0.04    -0.12   0.10  -0.12
    14   1    -0.00   0.00  -0.00     0.03  -0.01   0.01    -0.11  -0.13  -0.06
    15   1     0.00   0.00   0.00    -0.03  -0.06  -0.09     0.03   0.12   0.39
    16   1    -0.00  -0.00   0.00    -0.06   0.03  -0.08     0.13  -0.30   0.32
    17   1     0.00  -0.00  -0.00     0.00   0.01   0.01    -0.04  -0.09  -0.05
    18   1     0.00  -0.01   0.00     0.06   0.06  -0.00    -0.04  -0.09  -0.03
    19   1     0.00  -0.00   0.00     0.07  -0.01  -0.06    -0.03  -0.10   0.03
    20   1    -0.00   0.01   0.01     0.01  -0.07  -0.06     0.08   0.08   0.04
    21   1     0.00   0.00   0.01     0.10  -0.06  -0.13     0.11  -0.03   0.06
    22   1     0.00   0.00   0.01     0.09   0.04  -0.04     0.09   0.05   0.05
    23   1    -0.00   0.03   0.01     0.04  -0.37  -0.18     0.08   0.11  -0.08
    24   1     0.01  -0.03  -0.02    -0.15   0.56   0.41     0.01   0.17  -0.06
    25   1     0.52  -0.11  -0.23     0.05   0.01  -0.05    -0.27  -0.01  -0.11
    26   1    -0.43  -0.39  -0.09     0.07  -0.06   0.05    -0.18  -0.03  -0.06
    27   1    -0.10   0.46   0.30     0.05  -0.01  -0.05    -0.19  -0.16   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.2189               245.1834               271.8350
 Red. masses --      1.3396                 1.7003                 2.6112
 Frc consts  --      0.0386                 0.0602                 0.1137
 IR Inten    --      0.0594                 0.6904                 0.6248
 RamAct Fr= 1--      0.4572                 0.6597                 3.5460
  Dep-P Fr= 1--      0.5872                 0.5446                 0.1356
  Dep-U Fr= 1--      0.7399                 0.7052                 0.2388
 Alpha2 Fr= 1--      0.0014                 0.0026                 0.0568
 Beta2  Fr= 1--      0.0564                 0.0775                 0.1411
 AlphaG Fr= 1--     -0.0004                 0.0091                -0.0080
 Gamma2 Fr= 1--     -0.5150                 0.0651                 0.8924
 Delta2 Fr= 1--     -0.0855                 0.2144                 0.0074
 Raman1 Fr= 1--       1.829                  2.639                 14.184
 ROA1   Fr= 1--     -52.173                 13.109                 85.909
 CID1   Fr= 1--     -28.526                  4.967                  6.057
 Raman2 Fr= 1--       0.677                  0.930                  1.693
 ROA2   Fr= 1--     -11.674                 -0.152                 21.358
 CID2   Fr= 1--     -17.253                 -0.164                 12.612
 Raman3 Fr= 1--       1.353                  1.861                  3.387
 ROA3   Fr= 1--     -52.173                 13.109                 85.909
 CID3   Fr= 1--     -38.551                  7.044                 25.365
 RC180  Fr= 1--       0.480                  0.410                 -0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.03    -0.08   0.05   0.08     0.16  -0.02  -0.06
     2   6     0.01   0.02  -0.02     0.03  -0.02   0.06     0.02  -0.01  -0.04
     3   6    -0.00  -0.02  -0.02     0.03  -0.00   0.05     0.02   0.04   0.02
     4   6     0.01  -0.05  -0.03     0.03  -0.01   0.00    -0.07   0.11   0.17
     5   6     0.01   0.00   0.02    -0.01   0.02  -0.04    -0.07  -0.04   0.05
     6   6     0.02  -0.00   0.01    -0.02   0.01  -0.04    -0.09  -0.00   0.02
     7   8     0.01  -0.00   0.00     0.00   0.01  -0.00    -0.13  -0.00  -0.05
     8   6    -0.10   0.01   0.03     0.10  -0.03  -0.04     0.05   0.01  -0.00
     9   6    -0.01   0.05  -0.03     0.03  -0.03   0.05     0.05  -0.04  -0.05
    10   6    -0.03  -0.01   0.05     0.03   0.01  -0.07     0.09  -0.00  -0.02
    11   6     0.04   0.01   0.01    -0.11   0.00  -0.03    -0.05  -0.03  -0.01
    12   1     0.06   0.06  -0.07    -0.05  -0.01   0.11     0.08  -0.05  -0.08
    13   1    -0.08   0.10  -0.05     0.11  -0.09   0.08     0.03  -0.05  -0.08
    14   1    -0.00  -0.06  -0.04     0.02   0.07   0.08     0.09   0.01   0.01
    15   1    -0.06   0.05   0.12     0.04  -0.09  -0.18     0.10   0.00  -0.02
    16   1    -0.03  -0.09   0.09    -0.00   0.14  -0.14     0.15   0.01  -0.03
    17   1    -0.04  -0.03  -0.04    -0.21   0.04   0.16    -0.11  -0.08  -0.06
    18   1     0.13   0.11   0.02    -0.10   0.17  -0.01     0.34   0.28   0.07
    19   1     0.16  -0.10  -0.09    -0.05  -0.01   0.11     0.40  -0.27  -0.21
    20   1     0.31   0.12  -0.03     0.54  -0.02  -0.12     0.13   0.05  -0.01
    21   1    -0.36   0.16   0.47    -0.05   0.01   0.32     0.05  -0.02   0.08
    22   1    -0.39  -0.28  -0.28    -0.15  -0.10  -0.41     0.02   0.01  -0.05
    23   1     0.01  -0.11  -0.07     0.06  -0.02  -0.01    -0.13   0.30   0.29
    24   1     0.01   0.06   0.05    -0.05   0.02  -0.03    -0.07  -0.22  -0.06
    25   1     0.05   0.00   0.03    -0.13   0.01  -0.05    -0.07  -0.03  -0.04
    26   1     0.04   0.01   0.02    -0.14   0.01  -0.06    -0.02  -0.06   0.03
    27   1     0.04   0.03   0.00    -0.12  -0.03   0.03    -0.04  -0.06  -0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    290.3689               315.3975               351.5791
 Red. masses --      1.1987                 2.1583                 2.4524
 Frc consts  --      0.0595                 0.1265                 0.1786
 IR Inten    --      0.0608                 0.1001                 0.3846
 RamAct Fr= 1--      0.9604                 1.2730                 1.0483
  Dep-P Fr= 1--      0.1495                 0.4441                 0.7450
  Dep-U Fr= 1--      0.2601                 0.6150                 0.8539
 Alpha2 Fr= 1--      0.0149                 0.0080                 0.0001
 Beta2  Fr= 1--      0.0416                 0.1305                 0.1492
 AlphaG Fr= 1--     -0.0143                 0.0146                -0.0005
 Gamma2 Fr= 1--      0.1212                -0.1295                -0.6803
 Delta2 Fr= 1--      0.0257                 0.0262                -0.1453
 Raman1 Fr= 1--       3.842                  5.092                  4.193
 ROA1   Fr= 1--      12.457                -11.595                -69.955
 CID1   Fr= 1--       3.242                 -2.277                -16.683
 Raman2 Fr= 1--       0.500                  1.566                  1.790
 ROA2   Fr= 1--       2.703                 -3.318                -15.163
 CID2   Fr= 1--       5.409                 -2.119                 -8.471
 Raman3 Fr= 1--       0.999                  3.132                  3.580
 ROA3   Fr= 1--      12.457                -11.595                -69.955
 CID3   Fr= 1--      12.464                 -3.702                -19.539
 RC180  Fr= 1--      -0.480                  0.230                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01  -0.01     0.00  -0.11  -0.06    -0.08   0.12  -0.05
     2   6     0.03   0.01  -0.01    -0.03  -0.00  -0.04    -0.02  -0.00  -0.06
     3   6     0.02  -0.01   0.01    -0.06   0.01  -0.05    -0.03   0.03  -0.11
     4   6    -0.01  -0.02   0.04    -0.05   0.15   0.00    -0.05  -0.02  -0.10
     5   6    -0.03  -0.01   0.02     0.02   0.03  -0.00    -0.01  -0.01   0.00
     6   6    -0.04  -0.00   0.00     0.02   0.02   0.04    -0.03  -0.04   0.03
     7   8    -0.05  -0.00  -0.02     0.04  -0.02   0.02    -0.07  -0.01   0.00
     8   6     0.01   0.01   0.01     0.08   0.02  -0.06     0.07   0.08   0.15
     9   6     0.03   0.02  -0.02    -0.07  -0.03   0.12     0.04  -0.13   0.02
    10   6     0.03  -0.00   0.00    -0.08  -0.01   0.01     0.10  -0.04   0.01
    11   6    -0.04  -0.01  -0.00     0.10  -0.01   0.01     0.07  -0.00   0.04
    12   1     0.06   0.03  -0.04    -0.24  -0.13   0.20    -0.05  -0.26   0.03
    13   1     0.01   0.03  -0.04     0.08  -0.02   0.27     0.14  -0.15   0.10
    14   1     0.05  -0.01   0.00    -0.09  -0.03  -0.08    -0.07   0.01  -0.11
    15   1     0.01   0.00   0.01    -0.01  -0.04  -0.04     0.23   0.06   0.05
    16   1     0.04  -0.01   0.00    -0.16   0.03  -0.01     0.09  -0.12   0.05
    17   1     0.58   0.12  -0.08     0.13  -0.12  -0.19    -0.12   0.15   0.11
    18   1    -0.14  -0.51  -0.01    -0.04  -0.31  -0.02    -0.12   0.21  -0.16
    19   1    -0.31   0.43   0.06    -0.08  -0.05   0.03    -0.10   0.15  -0.07
    20   1     0.12   0.05  -0.01     0.36   0.05  -0.11     0.13   0.37   0.16
    21   1    -0.05   0.04   0.12     0.05  -0.03   0.16     0.13  -0.07   0.35
    22   1    -0.06  -0.06  -0.07    -0.04   0.05  -0.28     0.09   0.06   0.20
    23   1    -0.01  -0.02   0.03    -0.10   0.32   0.11    -0.10  -0.10  -0.14
    24   1    -0.05  -0.02   0.02     0.11  -0.11  -0.10     0.05   0.07   0.04
    25   1    -0.04  -0.01  -0.01     0.10  -0.01  -0.00     0.12  -0.02   0.10
    26   1    -0.04  -0.01  -0.00     0.16  -0.05   0.07     0.11  -0.01   0.07
    27   1    -0.04  -0.01   0.00     0.12  -0.00  -0.07     0.08   0.07  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    372.0731               408.6510               454.2721
 Red. masses --      2.5053                 2.3769                 2.4725
 Frc consts  --      0.2043                 0.2339                 0.3006
 IR Inten    --      0.2199                 0.2040                 0.0456
 RamAct Fr= 1--      2.1964                 0.5711                 1.3401
  Dep-P Fr= 1--      0.2694                 0.6953                 0.4798
  Dep-U Fr= 1--      0.4244                 0.8203                 0.6485
 Alpha2 Fr= 1--      0.0246                 0.0005                 0.0072
 Beta2  Fr= 1--      0.1554                 0.0781                 0.1448
 AlphaG Fr= 1--      0.0217                -0.0082                -0.0290
 Gamma2 Fr= 1--      0.1859                 0.1574                -0.2996
 Delta2 Fr= 1--      0.2323                 0.1439                -0.2156
 Raman1 Fr= 1--       8.786                  2.284                  5.361
 ROA1   Fr= 1--      25.277                 19.715                -35.660
 CID1   Fr= 1--       2.877                  8.631                 -6.652
 Raman2 Fr= 1--       1.864                  0.937                  1.738
 ROA2   Fr= 1--       2.603                  2.626                 -5.465
 CID2   Fr= 1--       1.396                  2.803                 -3.144
 Raman3 Fr= 1--       3.729                  1.874                  3.476
 ROA3   Fr= 1--      25.277                 19.715                -35.660
 CID3   Fr= 1--       6.779                 10.522                -10.258
 RC180  Fr= 1--      -0.151                  0.641                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.15   0.02    -0.05   0.00  -0.12    -0.05   0.01   0.06
     2   6    -0.05  -0.09   0.02     0.04   0.04  -0.11     0.18  -0.01   0.00
     3   6    -0.04  -0.09   0.02     0.07  -0.09   0.00     0.05  -0.07  -0.11
     4   6    -0.01   0.09   0.04     0.05  -0.04   0.13    -0.01   0.08  -0.05
     5   6     0.01   0.04  -0.02     0.02  -0.02   0.06    -0.01   0.05  -0.03
     6   6     0.04   0.06   0.01     0.05   0.07  -0.02    -0.08   0.05   0.08
     7   8     0.09  -0.02   0.03     0.07   0.02  -0.04    -0.09  -0.05  -0.01
     8   6     0.03  -0.06   0.10    -0.05   0.08   0.07    -0.02  -0.07   0.02
     9   6    -0.08  -0.02  -0.11     0.01   0.00   0.08     0.10   0.11   0.03
    10   6    -0.10  -0.09  -0.08    -0.04  -0.05  -0.02    -0.03  -0.04  -0.02
    11   6     0.02   0.00  -0.02    -0.09   0.00  -0.05     0.04  -0.03   0.03
    12   1     0.04   0.11  -0.14    -0.19  -0.14   0.16     0.14   0.20   0.04
    13   1    -0.20  -0.04  -0.23     0.18   0.07   0.28     0.03   0.20   0.03
    14   1    -0.06  -0.09   0.02     0.20  -0.18  -0.04     0.00  -0.10  -0.12
    15   1    -0.21  -0.15  -0.09    -0.07  -0.18  -0.13    -0.04  -0.05  -0.03
    16   1    -0.07  -0.02  -0.11    -0.14   0.08  -0.08    -0.15  -0.05  -0.01
    17   1     0.21   0.25   0.25    -0.14  -0.02  -0.14    -0.21   0.00   0.15
    18   1     0.08   0.20   0.04    -0.10   0.02  -0.21    -0.19   0.08  -0.21
    19   1     0.01   0.33  -0.22    -0.06  -0.05  -0.02    -0.11  -0.02   0.27
    20   1     0.06   0.06   0.11    -0.19   0.27   0.11    -0.19  -0.14   0.04
    21   1     0.07  -0.14   0.19    -0.07   0.10   0.11    -0.15   0.12  -0.09
    22   1     0.04  -0.06   0.12    -0.00  -0.08   0.25    -0.05  -0.27   0.11
    23   1     0.00   0.28   0.15     0.03   0.06   0.18    -0.05   0.31   0.10
    24   1     0.04  -0.13  -0.12    -0.08  -0.13   0.00     0.12  -0.15  -0.16
    25   1    -0.01   0.02  -0.09    -0.20   0.04  -0.16     0.06  -0.02  -0.05
    26   1     0.05  -0.04   0.01    -0.15  -0.00  -0.09     0.16  -0.14   0.17
    27   1     0.03  -0.05  -0.04    -0.12  -0.14   0.09     0.08  -0.03  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    527.9901               575.3754               585.9863
 Red. masses --      2.7784                 3.2269                 2.8023
 Frc consts  --      0.4563                 0.6294                 0.5669
 IR Inten    --     10.2516                10.1770                 3.5327
 RamAct Fr= 1--      2.8276                 1.1978                 3.4384
  Dep-P Fr= 1--      0.2818                 0.7238                 0.0719
  Dep-U Fr= 1--      0.4397                 0.8398                 0.1342
 Alpha2 Fr= 1--      0.0306                 0.0005                 0.0644
 Beta2  Fr= 1--      0.2072                 0.1676                 0.0769
 AlphaG Fr= 1--     -0.0131                -0.0126                -0.2048
 Gamma2 Fr= 1--      0.4175                -1.1131                 0.7246
 Delta2 Fr= 1--      0.0165                 0.0448                 0.0224
 Raman1 Fr= 1--      11.310                  4.791                 13.754
 ROA1   Fr= 1--      40.608               -105.420                 70.279
 CID1   Fr= 1--       3.590                -22.003                  5.110
 Raman2 Fr= 1--       2.487                  2.012                  0.923
 ROA2   Fr= 1--       9.889                -27.072                 17.211
 CID2   Fr= 1--       3.977                -13.457                 18.655
 Raman3 Fr= 1--       4.973                  4.024                  1.845
 ROA3   Fr= 1--      40.608               -105.420                 70.279
 CID3   Fr= 1--       8.165                -26.201                 38.087
 RC180  Fr= 1--      -0.121                  0.680                 -0.732
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.04     0.01  -0.01   0.05     0.01  -0.01   0.05
     2   6    -0.00   0.05  -0.02     0.01   0.02   0.03    -0.09   0.06   0.04
     3   6     0.03  -0.06   0.13    -0.04   0.04  -0.11     0.00  -0.05   0.08
     4   6     0.05  -0.01   0.03    -0.12  -0.13   0.02     0.09  -0.05  -0.09
     5   6    -0.10   0.07  -0.14    -0.11  -0.11   0.04     0.07  -0.02  -0.08
     6   6    -0.15  -0.04  -0.06    -0.04   0.20   0.04    -0.02   0.17   0.15
     7   8     0.01  -0.09   0.17     0.16  -0.08   0.07    -0.06  -0.03  -0.10
     8   6    -0.03   0.08  -0.01     0.00   0.01  -0.01    -0.04   0.14  -0.03
     9   6     0.03  -0.01  -0.00     0.04  -0.01  -0.00    -0.01  -0.06  -0.03
    10   6     0.02  -0.04  -0.01     0.05   0.04  -0.00     0.02  -0.04  -0.01
    11   6     0.06   0.05  -0.06     0.00   0.10  -0.13    -0.01  -0.03   0.09
    12   1    -0.01  -0.07  -0.00     0.07   0.01  -0.02     0.00  -0.11  -0.05
    13   1     0.06   0.01   0.04     0.01  -0.05  -0.05    -0.01  -0.10  -0.06
    14   1     0.07  -0.11   0.11     0.00   0.11  -0.07    -0.05  -0.06   0.07
    15   1    -0.06  -0.24  -0.17     0.18   0.22   0.12    -0.03  -0.18  -0.12
    16   1     0.04   0.19  -0.14     0.06  -0.15   0.10     0.05   0.12  -0.10
    17   1     0.01  -0.03  -0.13    -0.01  -0.01   0.05     0.06  -0.04  -0.10
    18   1     0.03  -0.04   0.03    -0.01  -0.02   0.02     0.10  -0.06   0.23
    19   1     0.03  -0.05  -0.03    -0.01  -0.01   0.11     0.07  -0.06  -0.02
    20   1    -0.07   0.11   0.00     0.03  -0.04  -0.02     0.01   0.11  -0.04
    21   1    -0.04   0.10  -0.01     0.00   0.02  -0.03     0.01   0.09  -0.04
    22   1    -0.02   0.04   0.04    -0.01   0.05  -0.05    -0.03   0.25  -0.08
    23   1     0.27  -0.02  -0.00    -0.31  -0.05   0.09     0.18   0.05  -0.04
    24   1    -0.19   0.11  -0.10    -0.24  -0.30  -0.06     0.20  -0.14  -0.16
    25   1     0.29  -0.03   0.16    -0.04   0.14  -0.44    -0.11   0.03  -0.33
    26   1     0.24   0.04   0.07     0.14  -0.17   0.10     0.11  -0.34   0.32
    27   1     0.12   0.33  -0.41     0.05  -0.04  -0.30     0.03  -0.28  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    618.6316               732.5006               796.9197
 Red. masses --      2.8782                 1.9296                 2.3502
 Frc consts  --      0.6490                 0.6100                 0.8794
 IR Inten    --      0.7427                 0.5621                 1.6301
 RamAct Fr= 1--      4.9036                 9.6871                17.4362
  Dep-P Fr= 1--      0.0878                 0.0284                 0.6042
  Dep-U Fr= 1--      0.1614                 0.0553                 0.7532
 Alpha2 Fr= 1--      0.0884                 0.2014                 0.0470
 Beta2  Fr= 1--      0.1319                 0.0893                 2.1889
 AlphaG Fr= 1--      0.1849                 0.3188                 0.0767
 Gamma2 Fr= 1--     -0.8585                 0.6465                 5.0374
 Delta2 Fr= 1--     -0.3526                -0.5088                -0.7717
 Raman1 Fr= 1--      19.615                 38.749                 69.745
 ROA1   Fr= 1--     -93.696                 45.781                458.895
 CID1   Fr= 1--      -4.777                  1.181                  6.580
 Raman2 Fr= 1--       1.583                  1.072                 26.267
 ROA2   Fr= 1--     -17.783                 19.586                127.070
 CID2   Fr= 1--     -11.231                 18.277                  4.838
 Raman3 Fr= 1--       3.167                  2.143                 52.535
 ROA3   Fr= 1--     -93.696                 45.781                458.895
 CID3   Fr= 1--     -29.588                 21.361                  8.735
 RC180  Fr= 1--      -0.677                 -0.889                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.13     0.02  -0.01   0.13     0.02   0.00  -0.00
     2   6    -0.02  -0.08  -0.05     0.00   0.01   0.00     0.11   0.02  -0.02
     3   6     0.09   0.07   0.06     0.09  -0.06  -0.10    -0.10  -0.02   0.11
     4   6     0.11  -0.05   0.01     0.07  -0.01   0.04    -0.10   0.00  -0.01
     5   6     0.03  -0.01  -0.08     0.02   0.05   0.02    -0.12   0.00  -0.09
     6   6    -0.08   0.08   0.06    -0.02  -0.04  -0.02     0.05   0.05  -0.04
     7   8    -0.04  -0.05  -0.00    -0.03  -0.00   0.02     0.07   0.04  -0.04
     8   6     0.04  -0.17   0.04    -0.02   0.09  -0.02     0.04   0.01  -0.01
     9   6    -0.12   0.04   0.01    -0.08  -0.06  -0.07    -0.02   0.01  -0.07
    10   6    -0.01   0.18   0.05    -0.04   0.03  -0.06     0.04   0.00  -0.03
    11   6    -0.01   0.01   0.01    -0.01  -0.00  -0.03     0.04  -0.08   0.14
    12   1    -0.31   0.01   0.13    -0.38  -0.05   0.13    -0.35  -0.01   0.14
    13   1     0.09  -0.04   0.15     0.21  -0.28   0.07     0.30  -0.12   0.15
    14   1     0.17   0.15   0.09     0.18  -0.02  -0.07    -0.16  -0.04   0.10
    15   1    -0.08   0.33   0.21    -0.16   0.33   0.27    -0.19   0.11   0.15
    16   1     0.12  -0.02   0.15     0.11  -0.38   0.16     0.38  -0.11   0.02
    17   1     0.02   0.05  -0.01     0.02  -0.01   0.14    -0.02  -0.01   0.01
    18   1    -0.01   0.07  -0.14     0.02  -0.01   0.14    -0.04  -0.00  -0.10
    19   1    -0.02   0.07  -0.26     0.02  -0.01   0.15    -0.01  -0.01   0.11
    20   1     0.03  -0.08   0.06    -0.03   0.08  -0.02    -0.10  -0.02   0.02
    21   1     0.07  -0.24   0.10    -0.04   0.12  -0.04    -0.12   0.21  -0.04
    22   1     0.06  -0.20   0.10    -0.03   0.08  -0.03    -0.02  -0.24   0.07
    23   1     0.22  -0.06  -0.01     0.06   0.15   0.13    -0.01  -0.06  -0.05
    24   1     0.01  -0.02  -0.08     0.03  -0.09  -0.06    -0.25   0.06  -0.05
    25   1     0.02   0.02  -0.15     0.04  -0.03   0.12     0.01  -0.07   0.09
    26   1     0.12  -0.17   0.19    -0.01   0.09  -0.07     0.03  -0.11   0.16
    27   1     0.03  -0.03  -0.17    -0.01   0.10  -0.05     0.03  -0.15   0.21
                     22                     23                     24
                      A                      A                      A
 Frequencies --    827.1019               863.7208               881.4980
 Red. masses --      2.4044                 1.9938                 1.9120
 Frc consts  --      0.9691                 0.8763                 0.8753
 IR Inten    --      2.3576                 0.2826                 0.3329
 RamAct Fr= 1--     10.7913                 4.9978                 5.6512
  Dep-P Fr= 1--      0.1238                 0.2163                 0.7493
  Dep-U Fr= 1--      0.2203                 0.3557                 0.8567
 Alpha2 Fr= 1--      0.1782                 0.0650                 0.0001
 Beta2  Fr= 1--      0.3962                 0.2963                 0.8069
 AlphaG Fr= 1--      0.3143                -0.4370                 0.0147
 Gamma2 Fr= 1--     -1.7958                 0.2403                -0.6376
 Delta2 Fr= 1--      1.3358                -0.9698                 1.0185
 Raman1 Fr= 1--      43.165                 19.991                 22.605
 ROA1   Fr= 1--    -129.654                 -7.966                -28.617
 CID1   Fr= 1--      -3.004                 -0.398                 -1.266
 Raman2 Fr= 1--       4.755                  3.555                  9.683
 ROA2   Fr= 1--     -53.786                 13.526                -23.451
 CID2   Fr= 1--     -11.312                  3.804                 -2.422
 Raman3 Fr= 1--       9.509                  7.110                 19.365
 ROA3   Fr= 1--    -129.654                 -7.966                -28.617
 CID3   Fr= 1--     -13.634                 -1.120                 -1.478
 RC180  Fr= 1--      -0.559                 -0.289                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.00     0.04  -0.01   0.04    -0.04   0.00  -0.02
     2   6    -0.09  -0.01   0.02     0.08  -0.02  -0.04    -0.09  -0.01   0.02
     3   6     0.07  -0.02  -0.10     0.03   0.11  -0.03     0.00   0.00  -0.01
     4   6     0.02  -0.08   0.05     0.03   0.08   0.11    -0.00   0.06   0.05
     5   6    -0.12   0.09  -0.07     0.02  -0.08  -0.09     0.01  -0.06  -0.04
     6   6     0.00   0.04  -0.09    -0.02   0.02  -0.02    -0.00   0.00  -0.00
     7   8     0.06   0.04  -0.04     0.01   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.04  -0.01   0.01     0.01   0.04  -0.02    -0.04  -0.02   0.01
     9   6     0.04   0.00   0.07    -0.05  -0.10   0.01     0.15   0.11   0.01
    10   6    -0.00   0.05   0.00    -0.09  -0.05   0.00    -0.02  -0.11  -0.09
    11   6     0.02  -0.11   0.15    -0.02   0.01   0.05    -0.01   0.02   0.02
    12   1     0.28   0.05  -0.08     0.16  -0.09  -0.13    -0.09   0.21   0.21
    13   1    -0.19   0.05  -0.12    -0.25  -0.03  -0.13     0.33   0.08   0.16
    14   1     0.23   0.04  -0.06     0.17   0.15  -0.01     0.01   0.11   0.04
    15   1     0.22   0.09  -0.05     0.10   0.01  -0.02    -0.16   0.13   0.20
    16   1    -0.26  -0.00   0.04    -0.30  -0.11   0.04    -0.04  -0.45   0.09
    17   1     0.01  -0.00  -0.02    -0.05  -0.00   0.14     0.06   0.01  -0.08
    18   1     0.03  -0.00   0.08    -0.08   0.01  -0.17     0.08  -0.00   0.18
    19   1     0.01   0.00  -0.08    -0.04   0.01   0.21     0.03  -0.01  -0.20
    20   1     0.09   0.02  -0.01    -0.04   0.09  -0.01     0.09  -0.00  -0.01
    21   1     0.11  -0.19   0.04    -0.05   0.11  -0.01     0.11  -0.22   0.04
    22   1     0.01   0.21  -0.05    -0.00  -0.06   0.02     0.01   0.24  -0.06
    23   1     0.05   0.15   0.18     0.12  -0.33  -0.15     0.06  -0.19  -0.11
    24   1    -0.32  -0.19  -0.22    -0.18   0.40   0.22    -0.06   0.23   0.14
    25   1     0.11  -0.16   0.32     0.03   0.01  -0.11    -0.00   0.02  -0.09
    26   1     0.07  -0.04   0.16     0.08  -0.16   0.21     0.03  -0.08   0.09
    27   1     0.02  -0.01   0.13     0.02  -0.06  -0.08     0.01  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --    913.0893               952.1969               963.7852
 Red. masses --      1.9413                 1.9210                 1.5680
 Frc consts  --      0.9536                 1.0262                 0.8581
 IR Inten    --      1.1701                 1.7604                 1.2755
 RamAct Fr= 1--     21.6970                 4.6656                 2.0719
  Dep-P Fr= 1--      0.4077                 0.5227                 0.7173
  Dep-U Fr= 1--      0.5792                 0.6865                 0.8354
 Alpha2 Fr= 1--      0.1563                 0.0206                 0.0012
 Beta2  Fr= 1--      2.0946                 0.5338                 0.2885
 AlphaG Fr= 1--     -0.4047                -0.0038                 0.0166
 Gamma2 Fr= 1--     -0.3698                -1.4968                -1.1411
 Delta2 Fr= 1--      0.0626                -1.5225                -0.1331
 Raman1 Fr= 1--      86.788                 18.662                  8.288
 ROA1   Fr= 1--     -33.497               -192.416               -113.803
 CID1   Fr= 1--      -0.386                -10.310                -13.732
 Raman2 Fr= 1--      25.135                  6.406                  3.462
 ROA2   Fr= 1--      -9.376                -23.744                -26.321
 CID2   Fr= 1--      -0.373                 -3.706                 -7.604
 Raman3 Fr= 1--      50.269                 12.812                  6.923
 ROA3   Fr= 1--     -33.497               -192.416               -113.803
 CID3   Fr= 1--      -0.666                -15.018                -16.438
 RC180  Fr= 1--       0.158                  0.373                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.14    -0.01   0.07   0.05    -0.01   0.06   0.06
     2   6    -0.06  -0.01  -0.09    -0.01   0.08  -0.03    -0.00   0.02  -0.06
     3   6     0.05  -0.05  -0.07     0.02   0.00   0.00    -0.03   0.06   0.03
     4   6    -0.03   0.05   0.02    -0.03   0.01  -0.01     0.03  -0.04  -0.00
     5   6    -0.01  -0.05  -0.03    -0.01  -0.01  -0.00     0.01   0.03   0.02
     6   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.04  -0.02     0.01  -0.10  -0.02     0.02  -0.06  -0.07
     9   6    -0.06   0.10  -0.03     0.13  -0.07  -0.08    -0.07   0.03   0.03
    10   6     0.10   0.03   0.06    -0.12   0.09   0.07     0.04  -0.10  -0.06
    11   6    -0.00   0.01   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    12   1    -0.20  -0.18  -0.04     0.03  -0.23  -0.07    -0.00   0.03  -0.01
    13   1     0.07   0.30   0.21     0.27  -0.29  -0.09    -0.17   0.27   0.08
    14   1     0.08  -0.33  -0.21     0.01  -0.11  -0.06     0.01   0.24   0.12
    15   1     0.04  -0.22  -0.15    -0.28  -0.04   0.01     0.24   0.05   0.01
    16   1     0.16   0.34  -0.11    -0.28   0.17   0.04     0.06  -0.23   0.01
    17   1     0.09   0.02   0.24    -0.03  -0.06  -0.38    -0.02  -0.05  -0.30
    18   1     0.07   0.03   0.22     0.04  -0.15   0.25     0.04  -0.14   0.26
    19   1     0.02   0.03  -0.04     0.09  -0.15   0.23     0.09  -0.13   0.21
    20   1    -0.01   0.14  -0.01    -0.02   0.16   0.01    -0.11   0.37  -0.01
    21   1     0.05  -0.16   0.08     0.05  -0.21   0.15     0.00  -0.13   0.19
    22   1     0.04  -0.02   0.05     0.08  -0.18   0.15     0.10  -0.29   0.22
    23   1    -0.06  -0.15  -0.10    -0.05  -0.01  -0.03     0.05   0.03   0.03
    24   1    -0.10   0.21   0.14    -0.01   0.04   0.02     0.05  -0.17  -0.11
    25   1     0.00   0.01  -0.06    -0.02   0.01  -0.02     0.02  -0.02   0.05
    26   1     0.02  -0.06   0.07    -0.01  -0.00  -0.01     0.01   0.03  -0.01
    27   1     0.01  -0.04  -0.02     0.00  -0.02   0.03    -0.01   0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    971.5727               998.4452              1009.4657
 Red. masses --      1.6844                 1.6965                 1.4519
 Frc consts  --      0.9368                 0.9964                 0.8717
 IR Inten    --      0.9153                12.9928                 7.1808
 RamAct Fr= 1--     10.2934                43.6705                 8.3062
  Dep-P Fr= 1--      0.7497                 0.2840                 0.3840
  Dep-U Fr= 1--      0.8569                 0.4423                 0.5549
 Alpha2 Fr= 1--      0.0001                 0.4697                 0.0651
 Beta2  Fr= 1--      1.4702                 3.2194                 0.7681
 AlphaG Fr= 1--     -0.0082                -0.0391                 0.1945
 Gamma2 Fr= 1--      0.8926                 3.3774                -1.0239
 Delta2 Fr= 1--     -0.7484                 0.9644                -1.1201
 Raman1 Fr= 1--      41.174                174.682                 33.225
 ROA1   Fr= 1--      61.745                355.091               -134.141
 CID1   Fr= 1--       1.500                  2.033                 -4.037
 Raman2 Fr= 1--      17.642                 38.632                  9.218
 ROA2   Fr= 1--      27.410                 73.342                -15.614
 CID2   Fr= 1--       1.554                  1.898                 -1.694
 Raman3 Fr= 1--      35.284                 77.265                 18.436
 ROA3   Fr= 1--      61.745                355.091               -134.141
 CID3   Fr= 1--       1.750                  4.596                 -7.276
 RC180  Fr= 1--       0.714                 -0.115                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.05     0.04  -0.05   0.03    -0.08   0.01  -0.01
     2   6     0.01  -0.04  -0.06     0.01  -0.09  -0.05    -0.01   0.02   0.03
     3   6     0.00   0.13   0.04    -0.01  -0.01   0.06     0.03  -0.06  -0.03
     4   6     0.01  -0.05  -0.03    -0.02  -0.01  -0.01    -0.01   0.02   0.02
     5   6    -0.01   0.04   0.03    -0.06   0.03  -0.04    -0.05   0.00  -0.06
     6   6    -0.01   0.01  -0.01     0.02  -0.02   0.04     0.01  -0.02   0.03
     7   8     0.01   0.00  -0.00    -0.03  -0.02   0.03    -0.03  -0.02   0.03
     8   6     0.02   0.03  -0.01    -0.06   0.04  -0.09     0.08   0.01   0.02
     9   6     0.08   0.01  -0.07     0.05  -0.00   0.04    -0.02  -0.01   0.01
    10   6    -0.07  -0.05   0.04    -0.02   0.06  -0.01     0.01   0.02  -0.02
    11   6    -0.01  -0.02  -0.00     0.09   0.03  -0.03     0.09   0.03  -0.01
    12   1    -0.09  -0.37  -0.10     0.13   0.18   0.06     0.03  -0.14  -0.08
    13   1     0.23   0.24   0.21    -0.02  -0.04  -0.06    -0.06   0.05   0.01
    14   1    -0.02   0.23   0.09     0.05   0.01   0.07     0.10   0.10   0.05
    15   1    -0.03  -0.09  -0.02    -0.05   0.11   0.05     0.21   0.09  -0.02
    16   1    -0.28   0.01   0.02    -0.00   0.00   0.02    -0.17  -0.08   0.04
    17   1     0.14   0.06   0.39    -0.02   0.01   0.30     0.12   0.02  -0.13
    18   1     0.07   0.14   0.08    -0.06   0.06  -0.20     0.12  -0.01   0.33
    19   1    -0.03   0.12  -0.33    -0.06   0.06   0.06     0.05  -0.01  -0.30
    20   1    -0.05  -0.02  -0.00    -0.01   0.47  -0.06    -0.11  -0.18   0.04
    21   1    -0.05   0.13  -0.05     0.09  -0.24   0.17    -0.15   0.32  -0.10
    22   1    -0.02  -0.08  -0.01     0.07   0.10   0.10    -0.04  -0.26   0.01
    23   1    -0.05   0.03   0.02     0.10   0.03  -0.01     0.09   0.00  -0.01
    24   1     0.02  -0.26  -0.15     0.02  -0.01  -0.07    -0.05   0.12   0.01
    25   1     0.03  -0.04   0.08    -0.20   0.12  -0.18    -0.18   0.12  -0.19
    26   1     0.01   0.03  -0.01    -0.18   0.06  -0.24    -0.16   0.03  -0.19
    27   1    -0.01   0.05  -0.02     0.02  -0.21   0.35     0.02  -0.21   0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1024.1017              1027.2323              1050.5931
 Red. masses --      1.1525                 1.6953                 1.8800
 Frc consts  --      0.7122                 1.0540                 1.2225
 IR Inten    --     33.0745                 4.5664                 0.7627
 RamAct Fr= 1--      1.7512                 8.0650                 1.4815
  Dep-P Fr= 1--      0.6402                 0.6024                 0.6681
  Dep-U Fr= 1--      0.7806                 0.7519                 0.8010
 Alpha2 Fr= 1--      0.0035                 0.0220                 0.0022
 Beta2  Fr= 1--      0.2278                 1.0107                 0.1978
 AlphaG Fr= 1--     -0.2015                -0.2388                -0.0217
 Gamma2 Fr= 1--     -0.2127                -1.6265                -0.2693
 Delta2 Fr= 1--      0.9673                -0.9553                 0.0137
 Raman1 Fr= 1--       7.005                 32.260                  5.926
 ROA1   Fr= 1--      10.537               -186.719                -25.415
 CID1   Fr= 1--       1.504                 -5.788                 -4.289
 Raman2 Fr= 1--       2.734                 12.128                  2.373
 ROA2   Fr= 1--     -12.843                -31.395                 -6.574
 CID2   Fr= 1--      -4.697                 -2.589                 -2.770
 Raman3 Fr= 1--       5.468                 24.257                  4.747
 ROA3   Fr= 1--      10.537               -186.719                -25.415
 CID3   Fr= 1--       1.927                 -7.698                 -5.354
 RC180  Fr= 1--       0.561                  0.504                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.06   0.04   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.07  -0.01    -0.00  -0.00   0.00
     3   6    -0.01   0.01   0.02     0.02   0.10  -0.01     0.00  -0.01  -0.00
     4   6     0.01  -0.07  -0.04     0.03  -0.06  -0.00    -0.01   0.04   0.03
     5   6     0.02  -0.05  -0.02    -0.04   0.02  -0.04     0.01  -0.06  -0.04
     6   6    -0.01   0.03   0.01    -0.00   0.00   0.02    -0.04   0.17   0.11
     7   8     0.01  -0.00  -0.01    -0.02  -0.02   0.02     0.01  -0.03  -0.02
     8   6     0.01   0.01  -0.02    -0.04  -0.05   0.09     0.00   0.00   0.00
     9   6     0.01  -0.00   0.01    -0.05   0.01  -0.06    -0.00  -0.00   0.00
    10   6    -0.01   0.01  -0.01    -0.00  -0.09   0.01     0.00   0.00   0.00
    11   6    -0.01  -0.02  -0.01     0.07   0.01  -0.01     0.03  -0.13  -0.08
    12   1     0.03   0.02   0.01    -0.17  -0.18  -0.05     0.00   0.00   0.00
    13   1    -0.00   0.01  -0.00     0.05   0.17   0.13    -0.00  -0.01  -0.01
    14   1    -0.04   0.00   0.01     0.15  -0.02  -0.07     0.00   0.01   0.00
    15   1     0.03   0.04   0.01    -0.01  -0.14  -0.03    -0.01  -0.00  -0.00
    16   1     0.00  -0.01   0.00     0.03  -0.03  -0.03    -0.01   0.00   0.00
    17   1     0.03   0.01   0.03    -0.13  -0.03  -0.09     0.00   0.00   0.00
    18   1     0.03   0.01   0.06    -0.09  -0.05  -0.18    -0.00   0.00  -0.01
    19   1     0.00   0.01  -0.08    -0.01  -0.03   0.33     0.00  -0.00   0.00
    20   1    -0.04   0.09  -0.01     0.19  -0.34   0.02    -0.00  -0.01   0.00
    21   1    -0.02   0.02   0.03     0.12  -0.18  -0.09    -0.00   0.01  -0.00
    22   1     0.02  -0.07   0.04    -0.04   0.31  -0.17    -0.00   0.00  -0.00
    23   1    -0.11   0.59   0.37     0.02   0.18   0.14     0.05  -0.25  -0.16
    24   1    -0.10   0.55   0.35    -0.10   0.10   0.01    -0.00   0.01   0.01
    25   1     0.03  -0.04   0.09    -0.14   0.07  -0.08     0.03  -0.18   0.57
    26   1     0.02   0.04  -0.01    -0.14   0.06  -0.18    -0.08   0.42  -0.42
    27   1    -0.01   0.07  -0.03     0.01  -0.14   0.28    -0.06   0.27   0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1098.3671              1159.2260              1183.7429
 Red. masses --      1.8148                 2.0627                 1.8543
 Frc consts  --      1.2900                 1.6331                 1.5309
 IR Inten    --     10.9360                 6.2171                15.5323
 RamAct Fr= 1--     52.8271                62.7521                29.8816
  Dep-P Fr= 1--      0.2401                 0.3239                 0.3551
  Dep-U Fr= 1--      0.3872                 0.4893                 0.5241
 Alpha2 Fr= 1--      0.6436                 0.5984                 0.2580
 Beta2  Fr= 1--      3.4091                 5.1178                 2.6104
 AlphaG Fr= 1--      0.4191                -0.5044                -0.2531
 Gamma2 Fr= 1--      2.0756                -6.8180                 1.0615
 Delta2 Fr= 1--      4.1436                -0.6824                 1.2715
 Raman1 Fr= 1--     211.308                251.008                119.527
 ROA1   Fr= 1--     331.853               -676.367                142.595
 CID1   Fr= 1--       1.570                 -2.695                  1.193
 Raman2 Fr= 1--      40.909                 61.414                 31.325
 ROA2   Fr= 1--      16.665               -158.174                 15.304
 CID2   Fr= 1--       0.407                 -2.576                  0.489
 Raman3 Fr= 1--      81.819                122.828                 62.649
 ROA3   Fr= 1--     331.853               -676.367                142.595
 CID3   Fr= 1--       4.056                 -5.507                  2.276
 RC180  Fr= 1--      -0.226                 -0.021                  0.048
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.01   0.04  -0.03    -0.10   0.01   0.03
     2   6     0.02  -0.04   0.04     0.06  -0.06   0.06     0.18   0.00  -0.07
     3   6     0.16   0.13  -0.03     0.17  -0.11   0.06    -0.03   0.01   0.02
     4   6    -0.03  -0.00  -0.05    -0.12   0.06  -0.09    -0.01   0.00   0.00
     5   6    -0.03  -0.00   0.01    -0.03  -0.03   0.02    -0.01   0.00   0.00
     6   6    -0.02   0.01  -0.02     0.01  -0.01  -0.00     0.01  -0.00   0.01
     7   8     0.00  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00  -0.00
     8   6     0.01   0.03  -0.03    -0.06   0.03  -0.01    -0.07  -0.00   0.04
     9   6    -0.04  -0.02   0.03    -0.05  -0.00  -0.05     0.01  -0.10   0.03
    10   6    -0.01  -0.09   0.05     0.01   0.02   0.02    -0.09   0.04  -0.03
    11   6     0.03  -0.00   0.01    -0.02  -0.00   0.00    -0.01  -0.00  -0.00
    12   1    -0.05   0.41   0.20    -0.09  -0.24  -0.11     0.16   0.03  -0.03
    13   1    -0.08  -0.23  -0.13     0.00   0.23   0.14    -0.16   0.31   0.10
    14   1     0.10  -0.01  -0.10     0.12   0.55   0.40     0.04  -0.16  -0.07
    15   1    -0.44  -0.31   0.01     0.10   0.01  -0.03     0.03   0.16   0.03
    16   1     0.25   0.11  -0.07    -0.19  -0.02   0.05     0.48   0.06  -0.05
    17   1     0.06   0.01  -0.10    -0.04  -0.01  -0.15     0.19   0.03  -0.11
    18   1     0.06  -0.02   0.16    -0.02  -0.06  -0.03     0.12   0.01   0.37
    19   1     0.04  -0.03  -0.17     0.03  -0.05   0.09     0.09  -0.08  -0.24
    20   1    -0.06   0.12  -0.01     0.06   0.10  -0.02     0.19  -0.07  -0.01
    21   1    -0.04   0.08   0.02     0.06  -0.12   0.02     0.11  -0.17  -0.07
    22   1     0.02  -0.08   0.05     0.01   0.24  -0.02    -0.01   0.31  -0.08
    23   1    -0.29  -0.02  -0.04    -0.24   0.04  -0.09     0.05  -0.02  -0.02
    24   1    -0.15  -0.07  -0.02     0.09   0.07   0.07     0.04  -0.01  -0.01
    25   1    -0.04   0.02  -0.01     0.03  -0.02   0.02     0.01  -0.01   0.00
    26   1    -0.04  -0.00  -0.04     0.03  -0.02   0.04     0.01   0.01   0.01
    27   1     0.01  -0.05   0.10    -0.00   0.04  -0.07    -0.00   0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.0085              1224.8828              1246.2475
 Red. masses --      1.7103                 1.4930                 1.6681
 Frc consts  --      1.4511                 1.3197                 1.5265
 IR Inten    --      0.8222                 9.6472                16.3157
 RamAct Fr= 1--     36.2543                10.3421                32.3536
  Dep-P Fr= 1--      0.3559                 0.5319                 0.3441
  Dep-U Fr= 1--      0.5249                 0.6944                 0.5120
 Alpha2 Fr= 1--      0.3122                 0.0436                 0.2895
 Beta2  Fr= 1--      3.1719                 1.1969                 2.7606
 AlphaG Fr= 1--      0.1748                -0.0981                -0.1540
 Gamma2 Fr= 1--      3.0232                -4.2144                -3.2287
 Delta2 Fr= 1--     -1.0455                -2.9638                -3.5744
 Raman1 Fr= 1--     145.017                 41.368                129.415
 ROA1   Fr= 1--     256.774               -499.425               -424.336
 CID1   Fr= 1--       1.771                -12.073                 -3.279
 Raman2 Fr= 1--      38.063                 14.363                 33.128
 ROA2   Fr= 1--      80.922                -77.435                -48.894
 CID2   Fr= 1--       2.126                 -5.391                 -1.476
 Raman3 Fr= 1--      76.126                 28.726                 66.255
 ROA3   Fr= 1--     256.774               -499.425               -424.336
 CID3   Fr= 1--       3.373                -17.386                 -6.405
 RC180  Fr= 1--       0.050                  0.389                  0.024
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.02     0.04   0.03  -0.01     0.01  -0.07  -0.02
     2   6    -0.10   0.05  -0.07    -0.11  -0.07   0.01     0.01   0.16   0.08
     3   6     0.06   0.02   0.09     0.02  -0.02  -0.03     0.03  -0.03  -0.03
     4   6    -0.11  -0.00  -0.06     0.04   0.01   0.01     0.01   0.01  -0.00
     5   6    -0.04  -0.00   0.00     0.03   0.00   0.00     0.02  -0.00   0.01
     6   6     0.03  -0.01   0.03    -0.03   0.01  -0.03    -0.03   0.01  -0.03
     7   8     0.02   0.02  -0.02    -0.01  -0.01   0.01    -0.00  -0.00   0.01
     8   6     0.05  -0.01   0.03     0.05   0.03   0.00    -0.01  -0.05  -0.04
     9   6     0.03  -0.02   0.06     0.06  -0.07   0.01    -0.01   0.05   0.07
    10   6    -0.02  -0.00  -0.06    -0.04   0.05  -0.02    -0.07  -0.04  -0.04
    11   6    -0.03  -0.00  -0.01     0.02   0.00   0.01     0.02   0.00   0.01
    12   1     0.14   0.00  -0.01     0.15  -0.08  -0.04     0.11  -0.54  -0.24
    13   1    -0.12   0.08  -0.01    -0.10   0.57   0.24    -0.07  -0.18  -0.13
    14   1     0.69  -0.26  -0.05    -0.25   0.12   0.03    -0.01   0.19   0.08
    15   1    -0.12   0.11   0.08    -0.33   0.05   0.08    -0.09   0.02   0.03
    16   1     0.12  -0.14   0.01     0.37   0.06  -0.04     0.51  -0.03  -0.07
    17   1    -0.04  -0.00   0.10    -0.12  -0.02  -0.06     0.03   0.01   0.19
    18   1    -0.02   0.02  -0.07    -0.05  -0.08  -0.08     0.01   0.14  -0.13
    19   1    -0.03   0.03   0.07    -0.00  -0.02   0.20    -0.09   0.12  -0.14
    20   1    -0.05  -0.17   0.03    -0.11  -0.04   0.02    -0.01   0.09  -0.02
    21   1    -0.03   0.11  -0.04    -0.08   0.19  -0.03     0.03  -0.16   0.14
    22   1    -0.04  -0.16  -0.02    -0.03  -0.10  -0.04     0.07  -0.08   0.12
    23   1     0.06   0.05  -0.06    -0.13  -0.03   0.01    -0.09  -0.02  -0.01
    24   1     0.39   0.06  -0.01    -0.17  -0.02   0.01    -0.04   0.00   0.02
    25   1     0.05  -0.02   0.02    -0.03   0.01  -0.00    -0.03   0.01   0.01
    26   1     0.04   0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.03  -0.00
    27   1    -0.01   0.07  -0.11     0.01  -0.04   0.07     0.01  -0.04   0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1258.3447              1275.9985              1279.1478
 Red. masses --      1.4693                 2.5264                 1.6112
 Frc consts  --      1.3707                 2.4235                 1.5532
 IR Inten    --      7.3910               127.9468                 6.1655
 RamAct Fr= 1--     33.6056                40.0568                 4.5014
  Dep-P Fr= 1--      0.3035                 0.3127                 0.6889
  Dep-U Fr= 1--      0.4657                 0.4764                 0.8158
 Alpha2 Fr= 1--      0.3411                 0.3954                 0.0048
 Beta2  Fr= 1--      2.6083                 3.1806                 0.6120
 AlphaG Fr= 1--      0.0252                 0.0890                 0.0268
 Gamma2 Fr= 1--     -0.0052                 1.3546                 3.1387
 Delta2 Fr= 1--      0.8896                 0.3950                 2.3475
 Raman1 Fr= 1--     134.422                160.227                 18.006
 ROA1   Fr= 1--      27.969                142.685                376.433
 CID1   Fr= 1--       0.208                  0.891                 20.906
 Raman2 Fr= 1--      31.299                 38.168                  7.344
 ROA2   Fr= 1--      -7.241                 29.352                 56.547
 CID2   Fr= 1--      -0.231                  0.769                  7.699
 Raman3 Fr= 1--      62.599                 76.335                 14.689
 ROA3   Fr= 1--      27.969                142.685                376.433
 CID3   Fr= 1--       0.447                  1.869                 25.627
 RC180  Fr= 1--      -0.069                 -0.047                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.01   0.01   0.01    -0.01   0.04   0.03
     2   6    -0.03  -0.02   0.06    -0.02  -0.03  -0.01     0.01  -0.10  -0.12
     3   6    -0.01  -0.01  -0.06     0.00  -0.00  -0.06    -0.05  -0.01  -0.05
     4   6    -0.03  -0.02   0.04     0.01  -0.01   0.02    -0.01  -0.03   0.04
     5   6    -0.01  -0.00  -0.00    -0.08   0.04  -0.09    -0.01  -0.00  -0.00
     6   6    -0.02   0.01  -0.02     0.21  -0.09   0.22    -0.04   0.02  -0.04
     7   8     0.01   0.00  -0.00    -0.03   0.01  -0.03     0.02   0.00   0.00
     8   6     0.02   0.00  -0.02     0.01   0.01   0.00    -0.00   0.03   0.04
     9   6     0.04  -0.01  -0.07     0.02   0.04   0.02     0.00   0.09   0.07
    10   6    -0.11  -0.04   0.09    -0.04  -0.02   0.04     0.03  -0.01   0.02
    11   6     0.00   0.00   0.00    -0.08   0.00  -0.03     0.01   0.00   0.00
    12   1    -0.13   0.27   0.16     0.02  -0.09  -0.04     0.12  -0.22  -0.13
    13   1     0.16   0.03   0.06     0.04  -0.14  -0.06     0.03  -0.34  -0.16
    14   1     0.19   0.18   0.04     0.01   0.30   0.08    -0.02   0.40   0.15
    15   1     0.52  -0.00  -0.12    -0.04  -0.07  -0.01    -0.36  -0.11   0.06
    16   1     0.39   0.24  -0.08     0.29   0.13  -0.05     0.12   0.11  -0.04
    17   1    -0.04  -0.01  -0.02    -0.03  -0.01  -0.01    -0.00  -0.00  -0.09
    18   1    -0.02  -0.01  -0.06    -0.02  -0.02  -0.01    -0.00  -0.09   0.11
    19   1    -0.01   0.01   0.02     0.01  -0.01   0.04     0.07  -0.09   0.08
    20   1    -0.06   0.06  -0.00    -0.04  -0.01   0.01     0.02  -0.11   0.02
    21   1    -0.04   0.06   0.03    -0.02   0.05  -0.01     0.02   0.06  -0.12
    22   1     0.02  -0.05   0.03    -0.02  -0.02  -0.03    -0.08   0.06  -0.12
    23   1     0.24   0.02   0.03     0.13   0.02   0.02     0.17   0.03   0.06
    24   1     0.38   0.08   0.01    -0.50  -0.03  -0.09     0.46   0.10   0.01
    25   1     0.00  -0.00   0.02     0.11  -0.02  -0.18    -0.00  -0.00   0.04
    26   1     0.00  -0.02   0.01     0.06   0.20  -0.05     0.01  -0.04   0.02
    27   1    -0.01  -0.04   0.05    -0.01   0.26  -0.42    -0.01  -0.05   0.08
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1288.2398              1316.1144              1337.5015
 Red. masses --      1.7199                 1.8053                 1.3493
 Frc consts  --      1.6817                 1.8424                 1.4221
 IR Inten    --      8.1760                 7.2041                 0.3968
 RamAct Fr= 1--      2.9755                 1.4360                32.4988
  Dep-P Fr= 1--      0.7497                 0.7303                 0.2572
  Dep-U Fr= 1--      0.8569                 0.8442                 0.4092
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.3774
 Beta2  Fr= 1--      0.4250                 0.2020                 2.2162
 AlphaG Fr= 1--      0.0016                -0.0136                 0.0771
 Gamma2 Fr= 1--     -1.7871                 1.5001                -0.1722
 Delta2 Fr= 1--     -2.2426                 1.3409                 0.2144
 Raman1 Fr= 1--      11.902                  5.744                129.995
 ROA1   Fr= 1--    -243.320                186.917                 -9.669
 CID1   Fr= 1--     -20.444                 32.540                 -0.074
 Raman2 Fr= 1--       5.100                  2.424                 26.595
 ROA2   Fr= 1--     -24.949                 25.275                 -5.848
 CID2   Fr= 1--      -4.892                 10.425                 -0.220
 Raman3 Fr= 1--      10.199                  4.849                 53.190
 ROA3   Fr= 1--    -243.320                186.917                 -9.669
 CID3   Fr= 1--     -23.857                 38.548                 -0.182
 RC180  Fr= 1--       0.714                  0.688                 -0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.00   0.05  -0.02    -0.00   0.00   0.01
     2   6    -0.04  -0.08  -0.10     0.03  -0.15   0.16     0.00  -0.02   0.01
     3   6     0.04  -0.01   0.09     0.01   0.08  -0.00    -0.02   0.01  -0.02
     4   6     0.02   0.04  -0.06    -0.01  -0.02   0.03    -0.01   0.05  -0.09
     5   6     0.06  -0.01   0.03    -0.04   0.01  -0.02    -0.01  -0.07   0.11
     6   6    -0.03   0.02  -0.03     0.01  -0.01   0.02    -0.02   0.01  -0.03
     7   8    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.00  -0.00   0.01
     8   6     0.01   0.03   0.04    -0.01   0.03  -0.04     0.00   0.00  -0.00
     9   6     0.02   0.09   0.03    -0.01   0.07   0.00    -0.00   0.00   0.00
    10   6    -0.10  -0.02  -0.01    -0.02   0.00  -0.04     0.01  -0.00   0.01
    11   6     0.02  -0.00   0.01    -0.01  -0.00  -0.00    -0.00   0.01  -0.01
    12   1     0.03  -0.10  -0.05     0.01  -0.51  -0.23     0.01  -0.03  -0.02
    13   1     0.09  -0.34  -0.16     0.07   0.03   0.05     0.01   0.01   0.01
    14   1    -0.03  -0.18  -0.01     0.01  -0.52  -0.30     0.16   0.05  -0.00
    15   1     0.54   0.19  -0.05     0.02   0.09   0.03    -0.11  -0.02   0.03
    16   1     0.19   0.01  -0.03     0.03  -0.06  -0.01     0.00   0.04  -0.01
    17   1    -0.05  -0.01  -0.06    -0.05  -0.03  -0.25     0.02  -0.01  -0.06
    18   1    -0.02  -0.10   0.04    -0.08  -0.10  -0.09    -0.03   0.02  -0.04
    19   1     0.05  -0.06   0.11     0.08  -0.05  -0.07     0.02  -0.01  -0.03
    20   1    -0.00  -0.13   0.02    -0.05   0.18  -0.02    -0.01   0.02   0.00
    21   1     0.01   0.07  -0.10    -0.07   0.08   0.06    -0.01   0.01   0.00
    22   1    -0.08  -0.01  -0.09     0.05   0.07   0.04     0.00   0.01  -0.00
    23   1    -0.29  -0.03  -0.06     0.11  -0.02   0.01     0.80   0.22  -0.10
    24   1    -0.42  -0.12   0.02     0.22   0.03  -0.03    -0.41  -0.15   0.11
    25   1    -0.04   0.01   0.02     0.02  -0.01  -0.01     0.02  -0.01   0.07
    26   1    -0.03  -0.03  -0.01     0.02   0.02   0.00     0.03  -0.05   0.04
    27   1     0.01  -0.03   0.05    -0.01   0.02  -0.02    -0.02  -0.06   0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1387.2563              1391.4858              1405.5931
 Red. masses --      1.4413                 1.3678                 1.3103
 Frc consts  --      1.6343                 1.5604                 1.5252
 IR Inten    --     36.1194                 9.5988                11.8555
 RamAct Fr= 1--      1.1790                 4.9700                 0.7799
  Dep-P Fr= 1--      0.1236                 0.3887                 0.2863
  Dep-U Fr= 1--      0.2200                 0.5598                 0.4451
 Alpha2 Fr= 1--      0.0195                 0.0383                 0.0083
 Beta2  Fr= 1--      0.0432                 0.4637                 0.0579
 AlphaG Fr= 1--      0.0106                -0.0001                -0.0106
 Gamma2 Fr= 1--     -0.1339                -0.6170                 0.0331
 Delta2 Fr= 1--     -0.0476                 0.0275                 0.1674
 Raman1 Fr= 1--       4.716                 19.880                  3.120
 ROA1   Fr= 1--     -14.381                -58.347                  8.539
 CID1   Fr= 1--      -3.049                 -2.935                  2.737
 Raman2 Fr= 1--       0.519                  5.565                  0.694
 ROA2   Fr= 1--      -2.833                -15.027                 -0.544
 CID2   Fr= 1--      -5.460                 -2.700                 -0.783
 Raman3 Fr= 1--       1.038                 11.129                  1.389
 ROA3   Fr= 1--     -14.381                -58.347                  8.539
 CID3   Fr= 1--     -13.858                 -5.243                  6.149
 RC180  Fr= 1--      -0.560                  0.120                 -0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01    -0.00   0.01   0.02     0.02  -0.01   0.09
     2   6     0.01  -0.02   0.03     0.02  -0.02   0.03    -0.01   0.03  -0.04
     3   6    -0.09  -0.02  -0.01    -0.11  -0.02  -0.01     0.03  -0.00   0.01
     4   6     0.01   0.01  -0.01     0.02   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.07   0.01   0.01     0.07   0.03  -0.03    -0.01  -0.00   0.00
     6   6    -0.04   0.02  -0.05     0.02  -0.01   0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.01   0.01    -0.02  -0.01   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01     0.03  -0.11   0.03
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01   0.01
    10   6     0.02   0.00   0.01     0.02   0.00   0.02    -0.01   0.00  -0.00
    11   6     0.03  -0.06   0.11    -0.01   0.05  -0.08    -0.00  -0.00   0.00
    12   1     0.03  -0.01  -0.03     0.04  -0.01  -0.03    -0.01   0.04   0.03
    13   1     0.06   0.01   0.05     0.07   0.01   0.05    -0.04  -0.02  -0.03
    14   1     0.49   0.07   0.04     0.59   0.09   0.05    -0.16   0.02   0.02
    15   1    -0.09  -0.03   0.03    -0.10  -0.04   0.02     0.03  -0.01  -0.03
    16   1    -0.01   0.05  -0.01     0.00   0.06  -0.01     0.01  -0.05   0.02
    17   1     0.01  -0.01  -0.08     0.00  -0.03  -0.11    -0.02  -0.13  -0.32
    18   1    -0.04  -0.01  -0.05    -0.06  -0.02  -0.08    -0.18   0.09  -0.31
    19   1     0.04  -0.01  -0.07     0.05  -0.00  -0.11     0.05   0.14  -0.33
    20   1     0.00   0.05  -0.00     0.00   0.07   0.00    -0.07   0.39   0.08
    21   1    -0.04   0.04   0.00    -0.06   0.06   0.00    -0.25   0.32  -0.16
    22   1     0.03   0.05   0.01     0.03   0.07   0.00     0.05   0.38  -0.22
    23   1    -0.13  -0.01  -0.01    -0.32  -0.06   0.01     0.01   0.00   0.00
    24   1    -0.11  -0.02   0.01    -0.22  -0.02  -0.04     0.05   0.01   0.00
    25   1    -0.14   0.05  -0.46     0.05  -0.02   0.37     0.00  -0.00  -0.02
    26   1    -0.20   0.34  -0.28     0.11  -0.30   0.19    -0.00   0.02  -0.01
    27   1     0.11   0.22  -0.32    -0.06  -0.16   0.24     0.00   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.6368              1471.4374              1479.9732
 Red. masses --      1.2283                 1.0568                 1.0473
 Frc consts  --      1.4626                 1.3481                 1.3515
 IR Inten    --      3.2955                10.2988                10.6960
 RamAct Fr= 1--      1.2720                 4.3163                 4.9826
  Dep-P Fr= 1--      0.7456                 0.7360                 0.7500
  Dep-U Fr= 1--      0.8542                 0.8479                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0000
 Beta2  Fr= 1--      0.1811                 0.6100                 0.7118
 AlphaG Fr= 1--      0.0008                 0.0030                 0.0004
 Gamma2 Fr= 1--      0.1659                -0.6030                -0.4741
 Delta2 Fr= 1--      0.1011                -0.3018                -0.3470
 Raman1 Fr= 1--       5.088                 17.265                 19.930
 ROA1   Fr= 1--      19.165                -67.541                -56.620
 CID1   Fr= 1--       3.767                 -3.912                 -2.841
 Raman2 Fr= 1--       2.173                  7.320                  8.541
 ROA2   Fr= 1--       3.173                -12.057                 -8.604
 CID2   Fr= 1--       1.460                 -1.647                 -1.007
 Raman3 Fr= 1--       4.346                 14.640                 17.083
 ROA3   Fr= 1--      19.165                -67.541                -56.620
 CID3   Fr= 1--       4.409                 -4.614                 -3.314
 RC180  Fr= 1--       0.708                  0.696                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.10    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.02  -0.01
     7   8    -0.00  -0.00   0.00    -0.02  -0.01   0.02     0.00   0.00   0.00
     8   6     0.02  -0.09   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.05  -0.01  -0.01     0.01  -0.05  -0.03
    12   1     0.06  -0.02  -0.05     0.01   0.00  -0.00    -0.01  -0.00   0.01
    13   1     0.05  -0.04   0.03     0.01  -0.00   0.01    -0.01   0.00  -0.01
    14   1     0.07  -0.03  -0.01     0.03   0.00   0.01    -0.00   0.00   0.00
    15   1    -0.01   0.03   0.03    -0.00   0.01   0.01     0.00   0.01   0.01
    16   1    -0.01   0.03  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    17   1     0.02   0.14   0.38     0.02   0.01   0.01     0.02   0.01   0.02
    18   1     0.24  -0.04   0.36    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
    19   1    -0.11  -0.11   0.41     0.02  -0.02   0.00     0.02  -0.03  -0.00
    20   1    -0.05   0.33   0.05    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    21   1    -0.25   0.29  -0.08    -0.00   0.00   0.01    -0.01   0.00   0.02
    22   1     0.09   0.35  -0.13     0.00   0.01   0.00     0.01   0.01   0.00
    23   1     0.01   0.00  -0.01    -0.05  -0.01  -0.00     0.00  -0.01  -0.00
    24   1    -0.02  -0.01  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.01     0.52  -0.12  -0.33    -0.44   0.11  -0.19
    26   1    -0.00  -0.01   0.00     0.41   0.49   0.06     0.40  -0.01   0.26
    27   1    -0.00  -0.00   0.00    -0.10  -0.23   0.35    -0.12   0.61   0.37
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.4752              1486.8291              1493.0115
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3870                 1.3624                 1.3988
 IR Inten    --      0.8346                 0.3767                 6.9142
 RamAct Fr= 1--      7.9406                 9.2649                11.2792
  Dep-P Fr= 1--      0.6993                 0.7307                 0.7073
  Dep-U Fr= 1--      0.8230                 0.8444                 0.8286
 Alpha2 Fr= 1--      0.0070                 0.0031                 0.0083
 Beta2  Fr= 1--      1.0892                 1.3039                 1.5576
 AlphaG Fr= 1--      0.0141                 0.0093                -0.0352
 Gamma2 Fr= 1--      2.1591                -1.4038                -1.5986
 Delta2 Fr= 1--      0.3935                -1.0037                 0.4091
 Raman1 Fr= 1--      31.762                 37.060                 45.117
 ROA1   Fr= 1--     219.864               -166.887               -140.375
 CID1   Fr= 1--       6.922                 -4.503                 -3.111
 Raman2 Fr= 1--      13.071                 15.646                 18.692
 ROA2   Fr= 1--      48.670                -25.662                -41.640
 CID2   Fr= 1--       3.724                 -1.640                 -2.228
 Raman3 Fr= 1--      26.141                 31.293                 37.383
 ROA3   Fr= 1--     219.864               -166.887               -140.375
 CID3   Fr= 1--       8.411                 -5.333                 -3.755
 RC180  Fr= 1--       0.646                  0.689                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00     0.03   0.00  -0.00    -0.00   0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00    -0.01   0.00  -0.03
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.01   0.01   0.02    -0.04  -0.01   0.01    -0.01  -0.01  -0.04
     9   6    -0.05   0.00  -0.01    -0.01   0.00   0.00    -0.02   0.00   0.00
    10   6    -0.01   0.04   0.01    -0.00   0.01   0.00    -0.01   0.04   0.01
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.35   0.12  -0.20     0.07   0.02  -0.04     0.17   0.09  -0.09
    13   1     0.31  -0.08   0.26     0.06  -0.02   0.05     0.14  -0.06   0.11
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.00    -0.04   0.02   0.01
    15   1     0.02  -0.25  -0.26    -0.01  -0.07  -0.07     0.02  -0.25  -0.26
    16   1     0.10  -0.30   0.17     0.03  -0.07   0.04     0.10  -0.30   0.17
    17   1     0.13  -0.03  -0.15    -0.41  -0.09   0.02     0.02   0.05   0.12
    18   1     0.10   0.28   0.00     0.06  -0.18   0.17    -0.10  -0.17  -0.06
    19   1    -0.13   0.07   0.15    -0.14   0.26  -0.12     0.15  -0.14  -0.07
    20   1    -0.13   0.14   0.05     0.53   0.15  -0.08     0.08  -0.31  -0.06
    21   1     0.17  -0.13  -0.14     0.00   0.12  -0.41    -0.25   0.16   0.35
    22   1    -0.19  -0.15  -0.22     0.08  -0.18   0.29     0.28   0.24   0.30
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.01  -0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.02   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.00
    26   1     0.02   0.00   0.01     0.03   0.01   0.01    -0.01  -0.00  -0.01
    27   1    -0.01   0.03   0.02    -0.01   0.02   0.03     0.00  -0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.9881              1506.4665              1510.2449
 Red. masses --      1.1109                 1.0606                 1.0615
 Frc consts  --      1.4786                 1.4182                 1.4265
 IR Inten    --      2.2951                 7.2824                 6.3211
 RamAct Fr= 1--      4.7587                 5.1834                 1.8846
  Dep-P Fr= 1--      0.5910                 0.7487                 0.6381
  Dep-U Fr= 1--      0.7430                 0.8563                 0.7791
 Alpha2 Fr= 1--      0.0141                 0.0001                 0.0038
 Beta2  Fr= 1--      0.5893                 0.7398                 0.2447
 AlphaG Fr= 1--      0.0035                 0.0011                -0.0024
 Gamma2 Fr= 1--      0.0405                 0.6056                -0.2761
 Delta2 Fr= 1--      0.0435                -0.9465                 0.2709
 Raman1 Fr= 1--      19.035                 20.734                  7.538
 ROA1   Fr= 1--       5.278                 27.850                -17.834
 CID1   Fr= 1--       0.277                  1.343                 -2.366
 Raman2 Fr= 1--       7.071                  8.877                  2.936
 ROA2   Fr= 1--       0.623                 22.107                 -8.793
 CID2   Fr= 1--       0.088                  2.490                 -2.994
 Raman3 Fr= 1--      14.142                 17.754                  5.873
 ROA3   Fr= 1--       5.278                 27.850                -17.834
 CID3   Fr= 1--       0.373                  1.569                 -3.037
 RC180  Fr= 1--       0.486                  0.713                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00  -0.04   0.01    -0.04  -0.00  -0.00
     2   6    -0.02   0.03   0.01    -0.01  -0.02  -0.02    -0.03  -0.01   0.01
     3   6     0.02  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01   0.00  -0.02    -0.02  -0.01   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.03   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.01    -0.00   0.02   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.37   0.16  -0.20     0.12   0.04  -0.06    -0.18  -0.09   0.10
    13   1     0.31  -0.08   0.28     0.10  -0.04   0.08    -0.15   0.05  -0.14
    14   1    -0.08   0.00  -0.00    -0.03   0.00   0.00     0.01   0.00   0.00
    15   1    -0.01   0.26   0.26    -0.01   0.19   0.19     0.01  -0.10  -0.11
    16   1    -0.09   0.28  -0.18    -0.06   0.22  -0.13     0.05  -0.11   0.07
    17   1     0.15   0.09   0.16     0.14  -0.09  -0.33     0.51   0.12  -0.01
    18   1    -0.18  -0.18  -0.18     0.18   0.48   0.02    -0.06   0.24  -0.21
    19   1     0.25  -0.27  -0.10    -0.26   0.21   0.22     0.15  -0.33   0.20
    20   1     0.12   0.08  -0.01     0.17  -0.20  -0.06     0.36   0.14  -0.05
    21   1     0.04  -0.00  -0.14    -0.16   0.13   0.15    -0.00   0.10  -0.31
    22   1    -0.02  -0.10   0.04     0.20   0.11   0.27     0.04  -0.14   0.18
    23   1     0.00   0.00   0.01    -0.02  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.00    -0.01   0.00   0.01
    26   1    -0.02  -0.01  -0.01     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    27   1     0.00  -0.00  -0.02    -0.00   0.01   0.00     0.00  -0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1692.7875              1736.9267              3018.5886
 Red. masses --      5.8220                 9.8999                 1.0347
 Frc consts  --      9.8295                17.5971                 5.5549
 IR Inten    --     54.9441               283.4844                24.8928
 RamAct Fr= 1--    539.2105               245.0033                84.9621
  Dep-P Fr= 1--      0.2774                 0.3454                 0.0394
  Dep-U Fr= 1--      0.4343                 0.5135                 0.0758
 Alpha2 Fr= 1--      5.9111                 2.1831                 1.7211
 Beta2  Fr= 1--     39.0301                20.9666                 1.0731
 AlphaG Fr= 1--      0.2115                 0.0658                 0.0014
 Gamma2 Fr= 1--      2.8478                 3.2185                -1.0337
 Delta2 Fr= 1--      0.5859                -0.3142                -1.5713
 Raman1 Fr= 1--    2156.842                980.013                339.848
 ROA1   Fr= 1--     292.141                298.923               -149.511
 CID1   Fr= 1--       0.135                  0.305                 -0.440
 Raman2 Fr= 1--     468.361                251.599                 12.878
 ROA2   Fr= 1--      63.661                 79.757                -12.238
 CID2   Fr= 1--       0.136                  0.317                 -0.950
 Raman3 Fr= 1--     936.721                503.198                 25.756
 ROA3   Fr= 1--     292.141                298.923               -149.511
 CID3   Fr= 1--       0.312                  0.594                 -5.805
 RC180  Fr= 1--      -0.131                  0.027                 -0.848
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
     4   6     0.43   0.16  -0.12    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.40  -0.16   0.12    -0.06  -0.03   0.03    -0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.02     0.53   0.33  -0.35     0.00  -0.00   0.00
     7   8     0.05   0.02  -0.02    -0.34  -0.21   0.22    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.05  -0.00
     9   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.01  -0.00   0.00    -0.03  -0.02   0.03    -0.00  -0.00   0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.01   0.02
    14   1     0.24   0.04   0.02    -0.00   0.00   0.00    -0.00   0.02  -0.03
    15   1     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.03   0.03  -0.01     0.01   0.01  -0.01    -0.00   0.00  -0.00
    17   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.03  -0.13   0.03
    18   1    -0.01   0.01  -0.02    -0.00   0.00  -0.00    -0.14   0.05   0.08
    19   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.13   0.10   0.04
    20   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.08  -0.02   0.48
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.44  -0.34  -0.14
    22   1    -0.01  -0.03   0.00    -0.00  -0.01   0.00     0.49  -0.17  -0.29
    23   1    -0.53  -0.00  -0.15    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    24   1     0.40  -0.03   0.17     0.30   0.05   0.01    -0.00   0.00  -0.00
    25   1     0.04  -0.02  -0.01    -0.09  -0.01   0.19     0.00   0.00   0.00
    26   1     0.03   0.02   0.02    -0.05  -0.19   0.08     0.00  -0.00  -0.00
    27   1    -0.01   0.01  -0.01     0.04   0.16  -0.25     0.00   0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.9186              3040.8371              3050.9400
 Red. masses --      1.0351                 1.0371                 1.0668
 Frc consts  --      5.5875                 5.6501                 5.8505
 IR Inten    --     23.9058                 4.0204                26.1464
 RamAct Fr= 1--    205.1402               143.7828                46.3812
  Dep-P Fr= 1--      0.0230                 0.0066                 0.5680
  Dep-U Fr= 1--      0.0450                 0.0131                 0.7245
 Alpha2 Fr= 1--      4.3193                 3.1465                 0.1595
 Beta2  Fr= 1--      1.5391                 0.3128                 5.6006
 AlphaG Fr= 1--     -0.0595                -0.6180                 0.0956
 Gamma2 Fr= 1--      1.5976                 0.2402                -4.7529
 Delta2 Fr= 1--      1.0850                 1.3109                -3.8189
 Raman1 Fr= 1--     820.561                575.131                185.525
 ROA1   Fr= 1--     188.088                 65.004               -578.479
 CID1   Fr= 1--       0.229                  0.113                 -3.118
 Raman2 Fr= 1--      18.470                  3.754                 67.207
 ROA2   Fr= 1--      29.662                 -4.723                -83.517
 CID2   Fr= 1--       1.606                 -1.258                 -1.243
 Raman3 Fr= 1--      36.939                  7.507                134.413
 ROA3   Fr= 1--     188.088                 65.004               -578.479
 CID3   Fr= 1--       5.092                  8.659                 -4.304
 RC180  Fr= 1--      -0.910                 -0.974                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.05   0.00   0.01
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    11   6    -0.00  -0.00   0.00    -0.01  -0.03   0.04     0.00   0.00   0.00
    12   1    -0.03   0.02  -0.05     0.00  -0.00   0.00    -0.26   0.17  -0.42
    13   1    -0.03  -0.02   0.04     0.00   0.00  -0.00    -0.31  -0.21   0.36
    14   1    -0.00   0.03  -0.05    -0.00  -0.00   0.00    -0.01  -0.27   0.53
    15   1     0.01  -0.03   0.04    -0.00   0.00  -0.00    -0.07   0.17  -0.19
    16   1    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.01   0.06   0.12
    17   1    -0.11   0.49  -0.13     0.00  -0.00   0.00     0.00  -0.01   0.00
    18   1     0.47  -0.16  -0.27    -0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.43  -0.34  -0.16     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.02  -0.01   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    21   1    -0.12  -0.09  -0.04     0.00   0.00   0.00     0.01   0.01   0.00
    22   1     0.13  -0.05  -0.08    -0.00   0.00   0.00     0.01  -0.00  -0.01
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.03
    24   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    25   1     0.00   0.00   0.00     0.16   0.62   0.07    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.35  -0.26  -0.48     0.00   0.00   0.00
    27   1    -0.00  -0.00  -0.00    -0.38  -0.03  -0.08    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.1192              3060.4671              3077.2194
 Red. masses --      1.0740                 1.0623                 1.1013
 Frc consts  --      5.9065                 5.8621                 6.1445
 IR Inten    --     26.2822                28.6226                11.8422
 RamAct Fr= 1--    254.7125               117.2995                47.6160
  Dep-P Fr= 1--      0.0535                 0.0769                 0.7079
  Dep-U Fr= 1--      0.1016                 0.1429                 0.8290
 Alpha2 Fr= 1--      4.9894                 2.1722                 0.0347
 Beta2  Fr= 1--      4.3129                 2.7927                 6.5789
 AlphaG Fr= 1--     -0.5190                -0.1937                -0.0137
 Gamma2 Fr= 1--      3.0135                 5.7743                 3.8854
 Delta2 Fr= 1--     -1.3433                -7.4548                 1.6971
 Raman1 Fr= 1--    1018.850                469.198                190.464
 ROA1   Fr= 1--     246.316                315.779                427.309
 CID1   Fr= 1--       0.242                  0.673                  2.244
 Raman2 Fr= 1--      51.755                 33.513                 78.947
 ROA2   Fr= 1--      83.071                198.221                 79.673
 CID2   Fr= 1--       1.605                  5.915                  1.009
 Raman3 Fr= 1--     103.510                 67.026                157.894
 ROA3   Fr= 1--     246.316                315.779                427.309
 CID3   Fr= 1--       2.380                  4.711                  2.706
 RC180  Fr= 1--      -0.797                 -0.714                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01  -0.00     0.02   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.03  -0.05    -0.00   0.01  -0.02     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.08  -0.02   0.02
     9   6    -0.04  -0.00  -0.01     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01   0.02    -0.02   0.06  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.26  -0.16   0.41    -0.09   0.05  -0.14    -0.01   0.00  -0.01
    13   1     0.25   0.17  -0.29    -0.00  -0.00   0.01     0.01   0.01  -0.02
    14   1    -0.01  -0.32   0.64    -0.00  -0.13   0.26     0.00   0.02  -0.03
    15   1    -0.05   0.13  -0.14     0.20  -0.49   0.55    -0.00   0.01  -0.01
    16   1    -0.00  -0.03  -0.05    -0.02  -0.23  -0.48     0.00   0.01   0.03
    17   1    -0.01   0.04  -0.01    -0.01   0.04  -0.01     0.00   0.03  -0.01
    18   1     0.03  -0.01  -0.02    -0.05   0.02   0.03    -0.16   0.06   0.10
    19   1    -0.05  -0.04  -0.02     0.03   0.02   0.01    -0.13  -0.10  -0.05
    20   1    -0.00  -0.00  -0.02    -0.01   0.00  -0.03    -0.03   0.00  -0.06
    21   1    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.49   0.41   0.16
    22   1     0.07  -0.03  -0.04     0.02  -0.01  -0.01     0.56  -0.22  -0.34
    23   1    -0.00   0.02  -0.03    -0.00   0.02  -0.03     0.00  -0.01   0.01
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.9332              3087.1375              3091.0159
 Red. masses --      1.1014                 1.1020                 1.1009
 Frc consts  --      6.1837                 6.1877                 6.1972
 IR Inten    --     44.1205                17.0886                36.1633
 RamAct Fr= 1--    111.3040                44.5707                56.7439
  Dep-P Fr= 1--      0.7141                 0.6847                 0.7310
  Dep-U Fr= 1--      0.8332                 0.8128                 0.8446
 Alpha2 Fr= 1--      0.0691                 0.0512                 0.0184
 Beta2  Fr= 1--     15.4566                 6.0379                 7.9878
 AlphaG Fr= 1--      0.0160                -0.2868                 0.0592
 Gamma2 Fr= 1--     13.2929                17.0731                -4.6390
 Delta2 Fr= 1--      4.9793                16.5565                -9.9167
 Raman1 Fr= 1--     445.216                178.283                226.976
 ROA1   Fr= 1--    1435.455               2168.824               -762.683
 CID1   Fr= 1--       3.224                 12.165                 -3.360
 Raman2 Fr= 1--     185.479                 72.455                 95.854
 ROA2   Fr= 1--     279.195                277.301                -32.004
 CID2   Fr= 1--       1.505                  3.827                 -0.334
 Raman3 Fr= 1--     370.957                144.911                191.708
 ROA3   Fr= 1--    1435.455               2168.824               -762.683
 CID3   Fr= 1--       3.870                 14.967                 -3.978
 RC180  Fr= 1--       0.666                  0.626                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.01     0.00   0.03   0.00    -0.00  -0.09  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.02  -0.00   0.00    -0.01  -0.02  -0.08    -0.01  -0.01  -0.02
     9   6     0.00   0.00  -0.01    -0.00  -0.01   0.02    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.03  -0.02   0.05    -0.07   0.04  -0.10     0.03  -0.02   0.04
    13   1    -0.03  -0.02   0.04     0.11   0.07  -0.12    -0.01  -0.01   0.02
    14   1     0.00   0.00  -0.00    -0.00  -0.03   0.07    -0.00  -0.01   0.02
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.01    -0.01   0.01  -0.02
    16   1    -0.00  -0.03  -0.06     0.00  -0.00  -0.00     0.00   0.03   0.07
    17   1     0.02  -0.19   0.06     0.05  -0.21   0.06    -0.17   0.73  -0.21
    18   1     0.61  -0.22  -0.37     0.04  -0.01  -0.02    -0.16   0.03   0.10
    19   1     0.41   0.34   0.17    -0.11  -0.08  -0.04     0.39   0.28   0.15
    20   1    -0.00  -0.00   0.01     0.14  -0.06   0.79     0.04  -0.02   0.24
    21   1     0.14   0.12   0.05     0.28   0.22   0.07     0.11   0.09   0.03
    22   1     0.15  -0.06  -0.09    -0.24   0.09   0.13    -0.06   0.02   0.03
    23   1    -0.00   0.02  -0.03    -0.00   0.01  -0.02     0.00  -0.01   0.02
    24   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.5215              3096.6035              3113.7915
 Red. masses --      1.1066                 1.0993                 1.1071
 Frc consts  --      6.2475                 6.2105                 6.3243
 IR Inten    --     21.5533                 8.4025                47.4700
 RamAct Fr= 1--    122.1647                35.3000               109.1145
  Dep-P Fr= 1--      0.4862                 0.7491                 0.5592
  Dep-U Fr= 1--      0.6543                 0.8566                 0.7173
 Alpha2 Fr= 1--      0.6425                 0.0005                 0.3957
 Beta2  Fr= 1--     13.3220                 5.0394                13.0440
 AlphaG Fr= 1--      0.4579                -0.0289                 0.1598
 Gamma2 Fr= 1--     -6.3221                -1.3209                -9.3259
 Delta2 Fr= 1--     10.8733                -1.4111               -11.9504
 Raman1 Fr= 1--     488.659                141.200                436.458
 ROA1   Fr= 1--    -258.981               -171.961              -1277.695
 CID1   Fr= 1--      -0.530                 -1.218                 -2.927
 Raman2 Fr= 1--     159.864                 60.473                156.528
 ROA2   Fr= 1--    -238.718                -20.413               -128.217
 CID2   Fr= 1--      -1.493                 -0.338                 -0.819
 Raman3 Fr= 1--     319.729                120.945                313.057
 ROA3   Fr= 1--    -258.981               -171.961              -1277.695
 CID3   Fr= 1--      -0.810                 -1.422                 -4.081
 RC180  Fr= 1--       0.309                  0.713                  0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.00   0.01  -0.01
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.04  -0.07     0.00   0.00  -0.00    -0.00   0.02  -0.04
    10   6     0.00   0.01   0.04     0.00  -0.00   0.00    -0.01   0.00  -0.08
    11   6     0.00   0.00   0.00     0.02  -0.08  -0.05     0.00   0.00   0.00
    12   1     0.28  -0.16   0.42     0.00  -0.00   0.00     0.19  -0.11   0.28
    13   1    -0.41  -0.26   0.43    -0.00  -0.00   0.00    -0.19  -0.12   0.20
    14   1     0.00   0.03  -0.06     0.00  -0.00   0.00    -0.00  -0.06   0.11
    15   1    -0.04   0.11  -0.11    -0.00   0.00  -0.00     0.14  -0.34   0.36
    16   1    -0.02  -0.21  -0.40     0.00  -0.00   0.00     0.02   0.32   0.60
    17   1     0.01  -0.04   0.01    -0.00   0.00  -0.00     0.02  -0.07   0.02
    18   1    -0.06   0.03   0.04     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.07  -0.06  -0.03     0.00   0.00   0.00    -0.04  -0.03  -0.01
    20   1     0.03  -0.01   0.15     0.00  -0.00   0.00     0.01  -0.01   0.06
    21   1     0.06   0.05   0.02     0.00   0.00   0.00     0.02   0.01   0.00
    22   1    -0.05   0.02   0.02    -0.00   0.00   0.00    -0.01   0.00   0.01
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.03  -0.05
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.19   0.68   0.06     0.00   0.00   0.00
    26   1     0.00  -0.00  -0.00    -0.39   0.26   0.53     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3145.2081              3147.1515              3158.3821
 Red. masses --      1.0953                 1.0952                 1.0873
 Frc consts  --      6.3840                 6.3910                 6.3906
 IR Inten    --     13.0724                 4.9024                12.1865
 RamAct Fr= 1--     93.2420                69.2596                36.7946
  Dep-P Fr= 1--      0.2341                 0.7005                 0.2219
  Dep-U Fr= 1--      0.3794                 0.8239                 0.3632
 Alpha2 Fr= 1--      1.1549                 0.0597                 0.4712
 Beta2  Fr= 1--      5.8959                 9.5102                 2.2271
 AlphaG Fr= 1--      0.0835                -0.0217                 0.3608
 Gamma2 Fr= 1--     -3.4935                -3.2033                 4.8600
 Delta2 Fr= 1--     -0.7326                -4.0608                 2.8332
 Raman1 Fr= 1--     372.968                277.038                147.178
 ROA1   Fr= 1--    -358.823               -437.463                557.223
 CID1   Fr= 1--      -0.962                 -1.579                  3.786
 Raman2 Fr= 1--      70.751                114.122                 26.725
 ROA2   Fr= 1--     -77.984                -44.393                 93.975
 CID2   Fr= 1--      -1.102                 -0.389                  3.516
 Raman3 Fr= 1--     141.501                228.244                 53.450
 ROA3   Fr= 1--    -358.823               -437.463                557.223
 CID3   Fr= 1--      -2.536                 -1.917                 10.425
 RC180  Fr= 1--      -0.241                  0.648                 -0.274
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.03  -0.05     0.00  -0.03   0.05    -0.01   0.01  -0.02
     5   6    -0.00  -0.01   0.02     0.00   0.01  -0.02    -0.01   0.04  -0.07
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06  -0.01  -0.00    -0.06  -0.01  -0.00     0.01   0.00   0.00
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    13   1    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    14   1    -0.00  -0.02   0.04     0.00   0.02  -0.04     0.00  -0.02   0.04
    15   1     0.01  -0.02   0.02    -0.01   0.02  -0.02     0.00  -0.01   0.01
    16   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.01
    17   1     0.01  -0.03   0.01    -0.01   0.03  -0.01     0.00  -0.01   0.00
    18   1     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.07  -0.34   0.57    -0.07   0.34  -0.56     0.03  -0.17   0.29
    24   1    -0.02   0.10  -0.16     0.02  -0.15   0.24     0.08  -0.48   0.80
    25   1     0.04   0.18   0.02     0.04   0.19   0.02    -0.00  -0.02  -0.00
    26   1     0.09  -0.07  -0.14     0.10  -0.08  -0.15    -0.01   0.01   0.01
    27   1     0.65   0.04   0.15     0.61   0.04   0.14    -0.06  -0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   843.955453611.893103665.80758
           X            0.99982  -0.01289   0.01425
           Y            0.01449   0.99285  -0.11849
           Z           -0.01262   0.11868   0.99285
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10263     0.02398     0.02363
 Rotational constants (GHZ):           2.13843     0.49967     0.49232
 Zero-point vibrational energy     622373.4 (Joules/Mol)
                                  148.75082 (Kcal/Mol)
 Warning -- explicit consideration of  19 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.01    92.74   116.65   178.79   211.82
          (Kelvin)            231.74   318.28   352.76   391.11   417.78
                              453.79   505.84   535.33   587.96   653.60
                              759.66   827.84   843.10   890.07  1053.90
                             1146.59  1190.02  1242.70  1268.28  1313.73
                             1370.00  1386.67  1397.88  1436.54  1452.40
                             1473.45  1477.96  1511.57  1580.31  1667.87
                             1703.14  1726.54  1762.33  1793.07  1810.48
                             1835.88  1840.41  1853.49  1893.60  1924.37
                             1995.95  2002.04  2022.34  2045.42  2117.07
                             2129.35  2134.39  2139.22  2148.11  2162.46
                             2167.47  2172.91  2435.54  2499.05  4343.08
                             4355.06  4375.09  4389.62  4395.64  4403.33
                             4427.43  4441.41  4441.70  4447.28  4453.77
                             4455.32  4480.05  4525.25  4528.05  4544.21
 
 Zero-point correction=                           0.237050 (Hartree/Particle)
 Thermal correction to Energy=                    0.249526
 Thermal correction to Enthalpy=                  0.250471
 Thermal correction to Gibbs Free Energy=         0.198060
 Sum of electronic and zero-point Energies=           -465.874976
 Sum of electronic and thermal Energies=              -465.862500
 Sum of electronic and thermal Enthalpies=            -465.861555
 Sum of electronic and thermal Free Energies=         -465.913966
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.580             46.421            110.307
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.792
 Vibrational            154.803             40.460             38.546
 Vibration     1          0.594              1.983              5.577
 Vibration     2          0.597              1.971              4.316
 Vibration     3          0.600              1.962              3.865
 Vibration     4          0.610              1.929              3.033
 Vibration     5          0.617              1.906              2.708
 Vibration     6          0.622              1.890              2.537
 Vibration     7          0.648              1.809              1.949
 Vibration     8          0.660              1.771              1.765
 Vibration     9          0.675              1.725              1.585
 Vibration    10          0.686              1.692              1.472
 Vibration    11          0.703              1.644              1.334
 Vibration    12          0.728              1.572              1.159
 Vibration    13          0.744              1.530              1.071
 Vibration    14          0.773              1.451              0.931
 Vibration    15          0.813              1.351              0.783
 Vibration    16          0.883              1.188              0.592
 Vibration    17          0.932              1.085              0.494
 Vibration    18          0.943              1.062              0.474
 Vibration    19          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.791857D-91        -91.101353       -209.768618
 Total V=0       0.858544D+18         17.933763         41.294014
 Vib (Bot)       0.897336-105       -105.047045       -241.879760
 Vib (Bot)    1  0.607621D+01          0.783633          1.804381
 Vib (Bot)    2  0.320185D+01          0.505400          1.163727
 Vib (Bot)    3  0.253961D+01          0.404767          0.932010
 Vib (Bot)    4  0.164286D+01          0.215601          0.496439
 Vib (Bot)    5  0.137842D+01          0.139382          0.320939
 Vib (Bot)    6  0.125472D+01          0.098548          0.226914
 Vib (Bot)    7  0.893695D+00         -0.048811         -0.112391
 Vib (Bot)    8  0.797824D+00         -0.098093         -0.225867
 Vib (Bot)    9  0.710284D+00         -0.148568         -0.342091
 Vib (Bot)   10  0.658454D+00         -0.181474         -0.417860
 Vib (Bot)   11  0.597648D+00         -0.223555         -0.514754
 Vib (Bot)   12  0.524235D+00         -0.280474         -0.645816
 Vib (Bot)   13  0.488615D+00         -0.311033         -0.716179
 Vib (Bot)   14  0.433378D+00         -0.363133         -0.836145
 Vib (Bot)   15  0.376187D+00         -0.424597         -0.977670
 Vib (Bot)   16  0.303468D+00         -0.517888         -1.192480
 Vib (Bot)   17  0.266065D+00         -0.575013         -1.324016
 Vib (Bot)   18  0.258483D+00         -0.587569         -1.352927
 Vib (Bot)   19  0.236735D+00         -0.625738         -1.440815
 Vib (V=0)       0.972906D+04          3.988071          9.182873
 Vib (V=0)    1  0.659674D+01          0.819330          1.886576
 Vib (V=0)    2  0.374065D+01          0.572947          1.319259
 Vib (V=0)    3  0.308836D+01          0.489728          1.127641
 Vib (V=0)    4  0.221726D+01          0.345817          0.796274
 Vib (V=0)    5  0.196630D+01          0.293651          0.676156
 Vib (V=0)    6  0.185068D+01          0.267331          0.615551
 Vib (V=0)    7  0.152406D+01          0.183001          0.421375
 Vib (V=0)    8  0.144155D+01          0.158831          0.365722
 Vib (V=0)    9  0.136862D+01          0.136283          0.313804
 Vib (V=0)   10  0.132678D+01          0.122798          0.282753
 Vib (V=0)   11  0.127922D+01          0.106945          0.246250
 Vib (V=0)   12  0.122445D+01          0.087940          0.202489
 Vib (V=0)   13  0.119910D+01          0.078857          0.181574
 Vib (V=0)   14  0.116168D+01          0.065085          0.149865
 Vib (V=0)   15  0.112571D+01          0.051428          0.118416
 Vib (V=0)   16  0.108489D+01          0.035384          0.081476
 Vib (V=0)   17  0.106638D+01          0.027913          0.064273
 Vib (V=0)   18  0.106286D+01          0.026477          0.060965
 Vib (V=0)   19  0.105321D+01          0.022516          0.051844
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119662D+07          6.077958         13.995015
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000623    0.000001577   -0.000010218
      2        6           0.000000364    0.000005236    0.000014082
      3        6           0.000011646   -0.000017672    0.000000215
      4        6          -0.000006996   -0.000000011   -0.000002841
      5        6           0.000003620    0.000003802    0.000004609
      6        6          -0.000002788   -0.000003071   -0.000004579
      7        8           0.000002972   -0.000002417   -0.000000334
      8        6           0.000000540    0.000000126   -0.000002976
      9        6          -0.000007236   -0.000006732   -0.000008124
     10        6           0.000001202    0.000010782   -0.000001716
     11        6          -0.000003315    0.000010474    0.000007335
     12        1           0.000000874   -0.000000976    0.000001433
     13        1           0.000003202   -0.000001899    0.000001436
     14        1          -0.000002896    0.000002071   -0.000000052
     15        1          -0.000002023    0.000000394    0.000002436
     16        1           0.000001629   -0.000002115    0.000001187
     17        1          -0.000000234    0.000001008   -0.000000339
     18        1          -0.000000196    0.000001281    0.000000155
     19        1           0.000000246    0.000001635    0.000001388
     20        1           0.000000053   -0.000002817    0.000000734
     21        1          -0.000001050   -0.000001172   -0.000001506
     22        1          -0.000000511   -0.000000857   -0.000001081
     23        1          -0.000001053    0.000002077    0.000000629
     24        1          -0.000000859   -0.000000530    0.000000786
     25        1           0.000003208    0.000000888   -0.000002714
     26        1           0.000000098   -0.000002125   -0.000001185
     27        1           0.000000124    0.000001043    0.000001239
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017672 RMS     0.000004327
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171955D+03  0.822948D+01 -0.445420D+01
      2   0.822948D+01  0.113157D+03 -0.438430D+01
      3  -0.445420D+01 -0.438430D+01  0.114091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.657789D+01  0.105834D+02  0.353643D+01
      2   0.158085D+02 -0.158222D+02 -0.237962D+02
      3  -0.307770D+02  0.405239D+02  0.222339D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.692476D+02  0.500642D+02 -0.192329D+02
      2  -0.494986D+02 -0.365887D+02 -0.142984D+02
      3  -0.197490D+02 -0.134755D+02  0.335313D+02
      4   0.417255D+02 -0.893152D+02 -0.534218D+02
      5  -0.104302D+02 -0.559693D+02 -0.461964D+02
      6  -0.294185D+02  0.223490D+01  0.219099D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.322172D+01 -0.344753D+01 -0.541971D+01 -0.402806D+01 -0.247286D+01
      2  -0.344753D+01 -0.235682D+01  0.335453D+00 -0.247286D+01  0.352022D+01
      3  -0.541971D+01  0.335453D+00  0.226058D+01  0.491754D+00 -0.330055D+01
                 6             7             8             9            10 
      1   0.491754D+00 -0.442274D+01  0.611653D+00  0.241822D+01 -0.203366D+02
      2  -0.330055D+01  0.611653D+00 -0.249889D+01 -0.137558D+01  0.508484D+01
      3  -0.101399D+01  0.241822D+01 -0.137558D+01  0.273027D+01  0.600805D+01
                11            12            13            14            15 
      1   0.508484D+01  0.600805D+01  0.756510D+01  0.725724D+00 -0.958451D+00
      2   0.205901D+01 -0.804094D-01  0.725724D+00 -0.828035D+00  0.274284D+01
      3  -0.804094D-01 -0.256196D+01 -0.958451D+00  0.274284D+01  0.197943D+01
                16            17            18            19            20 
      1   0.155586D+02 -0.826168D+00 -0.430997D+01  0.439171D+02  0.201631D+01
      2  -0.826168D+00  0.344048D+01  0.263835D+01  0.201631D+01  0.403157D+01
      3  -0.430997D+01  0.263835D+01 -0.345886D+01 -0.376082D+01  0.158410D+01
                21            22            23            24            25 
      1  -0.376082D+01 -0.287758D+01  0.740206D+01  0.394323D+01 -0.602929D+01
      2   0.158410D+01  0.740206D+01  0.178157D+01  0.622388D+00  0.318385D+01
      3   0.160164D+01  0.394323D+01  0.622388D+00 -0.410144D+01  0.291947D+01
                26            27            28            29            30 
      1   0.318385D+01  0.291947D+01 -0.604802D+02 -0.665046D+01  0.470443D+01
      2   0.121948D+00 -0.361206D+01 -0.665046D+01 -0.406040D+01 -0.606061D+00
      3  -0.361206D+01  0.276779D+01  0.470443D+01 -0.606061D+00 -0.245245D+01
                31            32            33            34            35 
      1  -0.138463D+02 -0.654641D+01 -0.472108D+00  0.872773D+01  0.244941D+00
      2  -0.654641D+01 -0.395657D+01 -0.136684D+01  0.244941D+00 -0.222346D+00
      3  -0.472108D+00 -0.136684D+01  0.186752D+01 -0.443582D+01  0.210517D+01
                36            37            38            39            40 
      1  -0.443582D+01  0.590301D+02  0.919436D+01 -0.597879D+01  0.145330D+02
      2   0.210517D+01  0.919436D+01  0.320674D+01  0.375352D+00  0.558693D+01
      3  -0.150176D+01 -0.597879D+01  0.375352D+00  0.107043D+01  0.302208D-01
                41            42            43            44            45 
      1   0.558693D+01  0.302208D-01 -0.759842D+01  0.359307D+00  0.360898D+01
      2   0.320185D+01  0.109886D+01  0.359307D+00  0.653676D-01 -0.300279D+01
      3   0.109886D+01 -0.290525D+01  0.360898D+01 -0.300279D+01  0.128365D+01
                46            47            48            49            50 
      1  -0.408493D+02 -0.906924D+01  0.566192D+01 -0.961918D+01 -0.306522D+01
      2  -0.906924D+01 -0.103377D+01  0.159146D+01 -0.306522D+01 -0.783830D+00
      3   0.566192D+01  0.159146D+01  0.175303D+00  0.260251D+01 -0.394000D+00
                51            52            53            54            55 
      1   0.260251D+01  0.245502D+01  0.203812D+01 -0.214165D+01  0.331357D+02
      2  -0.394000D+00  0.203812D+01 -0.355800D-01  0.134753D+01  0.705716D+01
      3   0.169018D+01 -0.214165D+01  0.134753D+01 -0.199877D+01 -0.528437D+01
                56            57            58            59            60 
      1   0.705716D+01 -0.528437D+01  0.153674D+02  0.727097D+01 -0.171145D+01
      2   0.233783D+01 -0.125867D+01  0.727097D+01  0.478384D+01 -0.195921D+01
      3  -0.125867D+01  0.189056D+01 -0.171145D+01 -0.195921D+01  0.586216D+00
                61            62            63            64            65 
      1  -0.163686D+02 -0.319794D+01  0.565955D+01  0.652838D+01 -0.491551D+01
      2  -0.319794D+01 -0.123690D+01  0.174417D+01 -0.491551D+01 -0.211398D+01
      3   0.565955D+01  0.174417D+01 -0.374049D+01 -0.323193D+01  0.575789D+00
                66            67            68            69            70 
      1  -0.323193D+01 -0.431873D+01 -0.193965D+01  0.721744D+00 -0.598983D+01
      2   0.575789D+00 -0.193965D+01  0.833705D+00 -0.229702D+01  0.869779D+00
      3   0.210307D+01  0.721744D+00 -0.229702D+01 -0.983214D+00  0.296816D+01
                71            72            73            74            75 
      1   0.869779D+00  0.296816D+01  0.103875D+01  0.114775D+01 -0.498417D+00
      2  -0.254404D+01 -0.225749D+01  0.114775D+01 -0.302821D+01 -0.324017D+01
      3  -0.225749D+01  0.588638D+01 -0.498417D+00 -0.324017D+01  0.236923D+01
                76            77            78            79            80 
      1   0.179492D+01 -0.317672D+01 -0.454767D+01 -0.122382D+01 -0.442850D+01
      2  -0.317672D+01 -0.236545D+01 -0.134914D+01 -0.442850D+01 -0.193683D+01
      3  -0.454767D+01 -0.134914D+01 -0.131218D+01  0.381140D+01 -0.800820D+00
                81            82            83            84            85 
      1   0.381140D+01 -0.720214D+01 -0.661697D+01 -0.187281D+01 -0.882400D+01
      2  -0.800820D+00 -0.661697D+01 -0.269733D+01  0.115860D+01 -0.458344D+01
      3   0.133878D+01 -0.187281D+01  0.115860D+01 -0.492698D-01  0.490292D+00
                86            87            88            89            90 
      1  -0.458344D+01  0.490292D+00  0.346428D+01  0.203915D+01 -0.209354D+00
      2   0.775616D+00  0.958916D-01  0.203915D+01  0.102534D+01  0.517904D+01
      3   0.958916D-01  0.372084D+01 -0.209354D+00  0.517904D+01  0.229508D+01
                91            92            93            94            95 
      1  -0.900731D+01 -0.699586D+00 -0.296546D+01 -0.243316D+01  0.158990D+01
      2  -0.699586D+00  0.225306D+01 -0.973201D-01  0.158990D+01  0.443997D+01
      3  -0.296546D+01 -0.973201D-01  0.273958D+01 -0.892197D+00  0.111660D+00
                96            97            98            99           100 
      1  -0.892197D+00 -0.631394D+00 -0.648598D+00  0.325580D+01 -0.528353D+01
      2   0.111660D+00 -0.648598D+00  0.619572D+00 -0.240881D+01  0.245206D+00
      3  -0.282905D+01  0.325580D+01 -0.240881D+01 -0.142125D+00 -0.275699D+01
               101           102           103           104           105 
      1   0.245206D+00 -0.275699D+01  0.152139D+01 -0.876402D+00  0.133929D+01
      2  -0.601990D+00  0.453305D+00 -0.876402D+00  0.936474D+00 -0.689478D+00
      3   0.453305D+00 -0.238375D+01  0.133929D+01 -0.689478D+00  0.127287D+01
               106           107           108           109           110 
      1  -0.426397D+01  0.885553D+00 -0.389284D+01 -0.733770D+01 -0.249533D+01
      2   0.885553D+00 -0.120644D+01  0.366942D+00 -0.249533D+01 -0.144532D+01
      3  -0.389284D+01  0.366942D+00 -0.465359D+01  0.227599D+01  0.103730D+01
               111           112           113           114           115 
      1   0.227599D+01 -0.261915D+01 -0.202151D+01  0.128412D+01  0.481167D+01
      2   0.103730D+01 -0.202151D+01 -0.193138D+01  0.989475D+00  0.201565D+01
      3  -0.189793D+01  0.128412D+01  0.989475D+00 -0.837567D+00 -0.329919D+01
               116           117           118           119           120 
      1   0.201565D+01 -0.329919D+01  0.488390D+00  0.665537D+00 -0.839118D+00
      2   0.183274D+01 -0.109591D+01  0.665537D+00 -0.265841D+00 -0.273631D+00
      3  -0.109591D+01  0.261579D+01 -0.839118D+00 -0.273631D+00  0.259786D-02
               121           122           123           124           125 
      1   0.179121D+01 -0.614597D+00 -0.864767D-01 -0.716530D+00  0.239548D-01
      2  -0.614597D+00  0.137806D+01 -0.140877D+01  0.239548D-01 -0.170660D+01
      3  -0.864767D-01 -0.140877D+01  0.215401D+01 -0.544383D+00  0.164012D+01
               126           127           128           129           130 
      1  -0.544383D+00  0.909457D+00 -0.387324D+00  0.687518D+00 -0.208697D+00
      2   0.164012D+01 -0.387324D+00  0.165333D+01 -0.526561D+00  0.749158D+00
      3  -0.604049D+01  0.687518D+00 -0.526561D+00  0.535264D+00 -0.338509D+00
               131           132           133           134           135 
      1   0.749158D+00 -0.338509D+00  0.136654D+01 -0.395989D+00  0.241377D+00
      2  -0.563024D+01  0.170273D+01 -0.395989D+00  0.331377D+01 -0.234977D+01
      3   0.170273D+01 -0.176254D+01  0.241377D+00 -0.234977D+01  0.212759D+01
               136           137           138           139           140 
      1   0.770531D+00 -0.438826D+00 -0.902187D+00  0.118533D+01 -0.400399D+00
      2  -0.438826D+00  0.183695D+00 -0.156959D+00 -0.400399D+00 -0.459885D+01
      3  -0.902187D+00 -0.156959D+00 -0.635358D-01 -0.592119D+00 -0.302824D+01
               141           142           143           144           145 
      1  -0.592119D+00 -0.206591D+01 -0.122520D+01 -0.980723D+00  0.575414D+00
      2  -0.302824D+01 -0.122520D+01 -0.469121D+01 -0.491431D+01 -0.648842D+00
      3  -0.283139D+01 -0.980723D+00 -0.491431D+01 -0.642725D+01  0.968415D+00
               146           147           148           149           150 
      1  -0.648842D+00  0.968415D+00 -0.921895D+00  0.941161D+00 -0.129999D+00
      2   0.947986D+00 -0.371919D+00  0.941161D+00 -0.555532D+01  0.238215D+01
      3  -0.371919D+00  0.348950D+00 -0.129999D+00  0.238215D+01 -0.288613D+01
               151           152           153           154           155 
      1   0.697344D+00 -0.256194D+00  0.796716D-01 -0.641692D+01  0.164993D+01
      2  -0.256194D+00  0.172918D+01 -0.154471D+01  0.164993D+01 -0.111878D+01
      3   0.796716D-01 -0.154471D+01  0.164097D+01  0.427516D+01 -0.989318D+00
               156           157           158           159           160 
      1   0.427516D+01  0.158806D+01 -0.105248D+01 -0.994983D+00  0.251525D+01
      2  -0.989318D+00 -0.105248D+01  0.753600D+00  0.144312D+01 -0.761759D+00
      3  -0.429915D+01 -0.994983D+00  0.144312D+01  0.148581D+01 -0.304689D+01
               161           162           163           164           165 
      1  -0.761759D+00 -0.304689D+01  0.356052D+01  0.185793D+01  0.193858D+01
      2   0.872453D+00  0.104532D+01  0.185793D+01  0.193413D+01  0.104686D+01
      3   0.104532D+01  0.386259D+01  0.193858D+01  0.104686D+01  0.222315D+01
               166           167           168           169           170 
      1   0.207866D+01  0.151042D+01  0.704990D+00  0.109693D+01  0.477203D+00
      2   0.151042D+01  0.223894D+01  0.181061D+01  0.477203D+00  0.104418D+01
      3   0.704990D+00  0.181061D+01  0.220991D+01  0.916161D+00  0.116836D+01
               171           172           173           174           175 
      1   0.916161D+00 -0.143409D+01  0.993271D+00 -0.926317D+00  0.475374D+00
      2   0.116836D+01  0.993271D+00 -0.178489D+00  0.301653D+00 -0.113379D+00
      3   0.194272D+01 -0.926317D+00  0.301653D+00 -0.121310D+01  0.259486D+00
               176           177           178           179           180 
      1  -0.113379D+00  0.259486D+00 -0.140474D+01  0.858103D+00 -0.211326D+01
      2   0.533861D+00 -0.104246D+01  0.858103D+00 -0.220745D+01  0.213553D+01
      3  -0.104246D+01  0.746527D+00 -0.211326D+01  0.213553D+01 -0.746666D+01
               181           182           183           184           185 
      1   0.262443D+01  0.209927D+01  0.783281D+00  0.161138D+01  0.181201D+01
      2   0.209927D+01  0.418268D+01  0.419420D+00  0.181201D+01  0.521804D+01
      3   0.783281D+00  0.419420D+00  0.821080D+00  0.277919D+00  0.828749D+00
               186           187           188           189           190 
      1   0.277919D+00  0.102711D+01  0.175299D+00  0.255916D+00 -0.762208D+01
      2   0.828749D+00  0.175299D+00  0.155123D+01  0.122196D+01  0.411711D+01
      3   0.905403D+00  0.255916D+00  0.122196D+01  0.186602D+00  0.226953D+01
               191           192           193           194           195 
      1   0.411711D+01  0.226953D+01  0.149219D+01 -0.219903D+01 -0.783956D+00
      2  -0.288271D+01 -0.986819D+00 -0.219903D+01  0.236858D+01  0.103074D+01
      3  -0.986819D+00 -0.183317D+01 -0.783956D+00  0.103074D+01  0.662825D+00
               196           197           198           199           200 
      1   0.364764D+01 -0.177969D+01 -0.222095D+01 -0.147683D+01 -0.901437D+00
      2  -0.177969D+01  0.215171D+01  0.141387D+01 -0.901437D+00  0.127030D-01
      3  -0.222095D+01  0.141387D+01  0.137411D+01  0.113505D+01 -0.222752D+00
               201           202           203           204           205 
      1   0.113505D+01 -0.156468D+01  0.835747D+00  0.272562D+00  0.129466D+01
      2  -0.222752D+00  0.835747D+00 -0.134449D+01  0.145382D+01  0.277997D+00
      3   0.359585D+00  0.272562D+00  0.145382D+01 -0.191964D+01  0.621685D+00
               206           207           208           209           210 
      1   0.277997D+00  0.621685D+00  0.906061D+00  0.693816D+00 -0.868036D+00
      2   0.165929D+01 -0.179387D+01  0.693816D+00  0.298071D-01  0.792586D-01
      3  -0.179387D+01  0.379672D+01 -0.868036D+00  0.792586D-01 -0.216065D+00
               211           212           213           214           215 
      1   0.115242D+01 -0.600253D-01 -0.419252D+00 -0.138043D+01 -0.273546D+00
      2  -0.600253D-01  0.192687D+01 -0.191821D+01 -0.273546D+00 -0.214064D+01
      3  -0.419252D+00 -0.191821D+01  0.285504D+01  0.566756D-01  0.253393D+01
               216           217           218           219           220 
      1   0.566756D-01  0.104611D+01 -0.725981D+00  0.172299D+00 -0.214204D+01
      2   0.253393D+01 -0.725981D+00 -0.115427D+01  0.219717D+00  0.251700D+00
      3  -0.579716D+01  0.172299D+00  0.219717D+00 -0.875299D+00 -0.612440D+00
               221           222           223           224           225 
      1   0.251700D+00 -0.612440D+00  0.646890D+00  0.166427D+00 -0.248996D+00
      2  -0.775943D+01  0.871135D+00  0.166427D+00 -0.346764D+00 -0.666492D+00
      3   0.871135D+00 -0.146287D+01 -0.248996D+00 -0.666492D+00  0.295051D+00
               226           227           228           229           230 
      1  -0.454185D+00  0.769630D+00  0.124728D+01  0.843677D+00 -0.544503D+00
      2   0.769630D+00 -0.101530D+01 -0.171332D+00 -0.544503D+00  0.458683D+00
      3   0.124728D+01 -0.171332D+00 -0.267336D+01 -0.105076D+00  0.118734D+01
               231           232           233           234           235 
      1  -0.105076D+00  0.273708D+01 -0.409200D+00 -0.848309D+00  0.101482D+02
      2   0.118734D+01 -0.409200D+00  0.120038D+01  0.107616D+01 -0.595083D+00
      3   0.218817D+01 -0.848309D+00  0.107616D+01  0.582899D+01  0.317747D+01
               236           237           238           239           240 
      1  -0.595083D+00  0.317747D+01  0.403304D+00  0.990860D+00  0.226572D+00
      2   0.112067D+01 -0.196347D+00  0.990860D+00 -0.396273D+00  0.382406D+00
      3  -0.196347D+00  0.201803D+01  0.226572D+00  0.382406D+00  0.520521D+00
               241           242           243 
      1   0.204898D+01 -0.242057D-01  0.147927D+01
      2  -0.242057D-01  0.146043D+00  0.206131D+00
      3   0.147927D+01  0.206131D+00  0.125410D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.609702D+01 -0.565274D+01  0.560388D+00 -0.539750D+01  0.102752D+02
      2   0.806541D+01  0.755263D+01  0.109265D+02  0.705430D+01  0.127488D+02
      3  -0.691447D+01 -0.799849D+01 -0.118505D+01 -0.379011D+01  0.526902D+01
                 6             7             8             9            10 
      1  -0.115779D+02 -0.531767D+00 -0.442122D+01 -0.280415D+01  0.813512D+00
      2   0.849701D+00  0.305205D+01  0.218170D+01 -0.945141D+01 -0.204083D+02
      3  -0.578378D+01 -0.495433D+00 -0.485106D+01 -0.188887D+01  0.134082D+02
                11            12            13            14            15 
      1   0.255512D+01  0.159271D+01  0.257616D+01 -0.476241D+01 -0.501972D+01
      2  -0.163924D+01  0.863029D+01 -0.185507D+01 -0.964421D+01 -0.535147D+01
      3   0.470137D+01  0.444998D+01  0.160070D+02  0.332598D+01  0.679981D+01
                16            17            18            19            20 
      1  -0.460742D-01  0.561286D+01  0.393988D+01 -0.273899D+01 -0.116386D+01
      2   0.803148D+01 -0.568643D+01  0.819996D+01  0.253806D+02  0.258049D+01
      3   0.416453D-01  0.692434D+01  0.414555D+01 -0.170109D+02 -0.641541D+01
                21            22            23            24            25 
      1  -0.101729D+01  0.945024D+00 -0.100490D+01 -0.469046D+01  0.351759D+00
      2   0.945255D+00  0.210878D+01  0.597629D+01  0.650776D+01 -0.152718D+02
      3  -0.661276D-01  0.394652D+01 -0.507264D+01 -0.868570D+00 -0.163961D+01
                26            27            28            29            30 
      1   0.420900D+00  0.433357D+01  0.715098D+01 -0.356735D+00 -0.593930D+00
      2   0.491166D+01  0.120266D+00 -0.285913D+02 -0.571751D+01 -0.157638D+01
      3  -0.262558D+01 -0.334125D+01  0.147492D+02  0.675890D+01  0.817204D+00
                31            32            33            34            35 
      1  -0.599707D+01  0.619761D+00 -0.217400D+01 -0.368737D+01  0.277711D+01
      2  -0.145806D+02 -0.437189D+01 -0.343346D+00 -0.219616D+02 -0.276474D+01
      3   0.327824D+02  0.839358D+01 -0.120558D+01  0.313781D+01  0.122140D+01
                36            37            38            39            40 
      1  -0.400328D+01 -0.737211D+01  0.178612D+01  0.136088D+01  0.683545D+01
      2  -0.167120D+00  0.209028D+02  0.618311D+01  0.429159D+01  0.145073D+02
      3   0.604740D+00 -0.224664D+02 -0.117336D+02 -0.299255D+00 -0.153907D+01
                41            42            43            44            45 
      1  -0.361768D-01 -0.703609D+00  0.927314D+01  0.211715D+01  0.948501D+00
      2   0.594553D+01 -0.532259D+01 -0.105677D+02 -0.658197D+01  0.951826D+01
      3  -0.224118D+01 -0.417551D+01 -0.308832D+01 -0.515395D+01  0.382350D+01
                46            47            48            49            50 
      1   0.671094D+01 -0.100860D+02 -0.242347D+01 -0.626055D+01  0.894851D+01
      2  -0.432727D+01 -0.729773D+01 -0.606362D+01 -0.340733D+01 -0.430925D+00
      3   0.156350D+02  0.150140D+02  0.937434D+00  0.242113D+02  0.465294D+01
                51            52            53            54            55 
      1  -0.124406D+02 -0.149688D+01 -0.150785D+00 -0.122583D+02 -0.370992D+01
      2  -0.124831D+01 -0.200318D+02  0.168787D+01 -0.860925D+01  0.393094D+01
      3   0.445743D+01  0.604232D+00  0.388645D+00 -0.119619D+01 -0.121583D+02
                56            57            58            59            60 
      1   0.300615D+01 -0.182393D+00 -0.171322D+01 -0.336231D+01  0.242940D+00
      2   0.173601D+01  0.150491D+02  0.451160D+01 -0.220852D+01  0.740931D+01
      3  -0.182043D+02  0.180559D+01 -0.146368D+02 -0.161179D+02  0.355594D+01
                61            62            63            64            65 
      1   0.997273D+00  0.271642D+01  0.382889D+01  0.755928D+01 -0.140594D+01
      2   0.466311D+01  0.285948D+01 -0.111808D+02  0.100292D+02 -0.257758D+01
      3   0.474807D+01  0.822858D+01 -0.439816D+01 -0.798611D+01 -0.215239D+02
                66            67            68            69            70 
      1  -0.552503D+01 -0.756924D+00  0.597171D+01  0.221592D+01 -0.853357D+01
      2  -0.379108D+01 -0.243774D+01  0.549863D+01  0.300612D+01 -0.115650D+02
      3  -0.561587D+01 -0.116391D+02 -0.447021D+01 -0.527207D+01 -0.349735D+01
                71            72            73            74            75 
      1   0.919088D+01 -0.139997D+02 -0.418759D+00 -0.286717D+01  0.346419D+01
      2   0.621540D+01 -0.145422D+02  0.232151D+01  0.139999D+02 -0.638592D+01
      3  -0.479874D+01 -0.244691D-01  0.602905D+01 -0.175144D+02 -0.140032D+02
                76            77            78            79            80 
      1  -0.322740D+01 -0.515493D+00 -0.289075D+01  0.585339D+01  0.167066D+01
      2   0.178870D+02  0.405244D+01  0.207495D+01 -0.192812D+02 -0.107685D+01
      3  -0.969061D+01 -0.433805D+01 -0.177428D+01 -0.168562D+02 -0.134836D+01
                81            82            83            84            85 
      1   0.165695D+01  0.240304D+00  0.547961D+01 -0.153809D+01  0.495942D+01
      2  -0.315003D+01 -0.202713D+01 -0.863796D+01  0.535799D+00 -0.122577D+02
      3  -0.589773D+01 -0.874436D+01  0.530496D+01  0.514131D+01  0.152190D+02
                86            87            88            89            90 
      1  -0.724801D+00  0.712473D+01 -0.895400D+00  0.166410D+02  0.142426D+01
      2  -0.452703D+01 -0.530901D+01 -0.278446D+01 -0.640417D+01 -0.328895D+01
      3   0.855071D+01 -0.274809D+01  0.740159D+01 -0.275928D+01  0.933195D+01
                91            92            93            94            95 
      1  -0.271194D+01  0.594061D+01  0.434847D+01 -0.156609D+01  0.810742D+01
      2  -0.288597D+01  0.529299D+00  0.186522D+02 -0.153301D+01 -0.359303D+01
      3   0.699118D+01 -0.108489D+02  0.270590D+01 -0.121071D+01 -0.173837D+02
                96            97            98            99           100 
      1  -0.779623D+01 -0.637628D+00  0.468044D+01 -0.463533D+01 -0.233501D+01
      2  -0.120437D+02  0.102782D+02 -0.849758D+01 -0.462918D+01  0.572448D+01
      3   0.120318D+00  0.280402D+01 -0.416818D+01  0.589202D+01  0.513047D+01
               101           102           103           104           105 
      1   0.158803D+01 -0.201576D+01  0.119786D+01 -0.176858D+01  0.378729D+00
      2  -0.182945D+01  0.863354D+01 -0.379652D+01  0.185865D+01 -0.405893D+01
      3  -0.371288D+01  0.415559D+01 -0.220672D+01  0.487581D+01 -0.324005D+01
               106           107           108           109           110 
      1  -0.367419D+01  0.326717D+01 -0.383255D+01  0.286135D+01  0.434711D+00
      2   0.858105D+01 -0.108348D+01  0.146869D+02 -0.951045D+01 -0.425955D+01
      3   0.681349D+01 -0.609830D+01  0.468882D+01 -0.601648D+00 -0.510016D+01
               111           112           113           114           115 
      1  -0.285236D+01  0.201655D+01  0.886596D+00 -0.230512D+01 -0.334332D+01
      2   0.976588D+01 -0.548584D+01 -0.406714D+01  0.421820D+01  0.107303D+02
      3   0.130015D+01 -0.179404D+01 -0.517449D+01  0.209378D+01  0.247759D+01
               116           117           118           119           120 
      1   0.275750D+00  0.350740D+01 -0.751383D+00  0.117664D+00  0.107204D+00
      2   0.395697D+01 -0.116280D+02  0.277803D+01  0.713976D+00  0.378490D+00
      3   0.594382D+01 -0.490630D+00  0.870587D+00 -0.989745D+00  0.313149D+00
               121           122           123           124           125 
      1  -0.132612D+01 -0.287043D+01  0.851425D+00 -0.891974D+00  0.443856D+01
      2   0.174457D+01  0.681900D+00 -0.251369D+01 -0.377366D+01 -0.165634D+01
      3   0.171538D+01  0.926403D+00 -0.114985D+01  0.120430D-01 -0.159729D+01
               126           127           128           129           130 
      1  -0.277276D+01  0.228443D+01 -0.219460D+01  0.243604D+01 -0.178881D+01
      2   0.550184D+01 -0.717522D+00  0.802945D+00  0.647219D+00  0.115709D+01
      3   0.208425D+01 -0.335730D+01  0.232481D+01 -0.278779D+01  0.427595D+01
               131           132           133           134           135 
      1   0.758448D+01 -0.758520D+01  0.110792D+01 -0.645525D+01  0.879906D+01
      2  -0.205456D+01  0.232340D+01 -0.833962D+00  0.347721D+01 -0.299381D+01
      3  -0.115828D+02  0.402861D+01 -0.506219D+01  0.680162D+01 -0.538097D+01
               136           137           138           139           140 
      1  -0.111969D+01 -0.659265D+00  0.106048D+00 -0.551868D+00 -0.682482D+00
      2   0.186253D+01 -0.712119D-01  0.103399D+00  0.148150D+00  0.494510D+01
      3  -0.938849D+00  0.542440D-01  0.128224D+01  0.144335D+01 -0.799814D+01
               141           142           143           144           145 
      1  -0.508947D+01 -0.265809D+00 -0.335392D+01 -0.101558D+02 -0.166484D+01
      2   0.472676D+01 -0.283663D+01  0.746765D+01  0.104011D+02 -0.441501D+01
      3  -0.457595D+01  0.255692D+01 -0.681164D+01 -0.784703D+01 -0.161203D+01
               146           147           148           149           150 
      1   0.298081D+01 -0.458852D+00  0.284484D+01 -0.151641D+02  0.232257D+01
      2   0.241325D+01 -0.170702D+01  0.419388D+01 -0.750578D+01  0.555185D+01
      3   0.102178D+01 -0.445444D+00  0.416966D+01 -0.904227D+01  0.386532D+01
               151           152           153           154           155 
      1  -0.545235D+00  0.500317D+01 -0.307248D+01  0.216064D+01 -0.331959D+01
      2  -0.297088D+01  0.368900D+01 -0.305985D+01  0.517624D+01 -0.145498D+01
      3  -0.911072D+00  0.271324D+01 -0.261980D+01  0.136280D+01 -0.380767D+01
               156           157           158           159           160 
      1  -0.415598D-01 -0.159693D+01  0.116209D+01  0.116324D+01 -0.954382D+00
      2   0.300911D+01 -0.219851D+01 -0.125138D+01 -0.153198D+01 -0.306293D+01
      3  -0.795187D+00 -0.689480D+00  0.159001D+01  0.249391D+01 -0.177176D+00
               161           162           163           164           165 
      1   0.334482D+01  0.417030D+00  0.328840D+01  0.486992D+01  0.122894D+00
      2  -0.332153D+00 -0.190866D+01 -0.149312D+02 -0.674820D+01 -0.694350D+01
      3   0.242958D+01  0.106574D+01  0.681904D+01  0.285301D+01  0.291698D+01
               166           167           168           169           170 
      1   0.315129D+01  0.422396D+01  0.903463D+00  0.624714D+00  0.321802D+01
      2  -0.756145D+01 -0.744499D+01 -0.489747D+01 -0.654691D+01 -0.362209D+01
      3   0.571022D+01  0.373630D+01  0.360277D+01  0.172468D+01  0.129751D+01
               171           172           173           174           175 
      1   0.143492D+01  0.166823D+01 -0.294330D+00  0.287098D+01 -0.901193D+00
      2  -0.534552D+01  0.164925D+01 -0.580483D+00  0.358317D+01 -0.357511D+00
      3   0.281465D+01  0.539304D+00  0.489157D+00 -0.941123D+00  0.144936D+01
               176           177           178           179           180 
      1   0.214411D+01 -0.254175D+01  0.414491D+01 -0.329658D+00  0.173331D+02
      2   0.252462D+01 -0.177099D+01  0.183338D+01 -0.468337D+01  0.183910D+02
      3   0.111565D+01 -0.200289D+01 -0.154906D+01 -0.482943D+01  0.210388D+01
               181           182           183           184           185 
      1  -0.208674D+01 -0.856924D+00 -0.325124D+01 -0.115195D+01 -0.236286D+01
      2  -0.151176D+01 -0.605590D+00 -0.233503D+00 -0.307720D+00 -0.146314D+01
      3   0.154958D+02  0.143967D+02  0.319580D+01  0.112368D+02  0.177803D+02
               186           187           188           189           190 
      1  -0.426758D+01 -0.808106D+00 -0.139354D+01 -0.536959D+00 -0.541883D+01
      2  -0.106832D+01 -0.148509D+01 -0.261453D+01 -0.203932D+00 -0.625159D+01
      3   0.307656D+01  0.314433D+01  0.432246D+01  0.380749D+01 -0.460791D+01
               191           192           193           194           195 
      1   0.181245D+01  0.551926D+01  0.258742D+01 -0.241185D+01 -0.308328D+01
      2   0.302532D+01  0.766541D+01  0.189798D+01 -0.305884D+01 -0.281819D+01
      3  -0.229795D+01  0.225483D+01  0.215952D+01  0.268364D+01  0.890631D+00
               196           197           198           199           200 
      1   0.453088D+01 -0.149729D+01 -0.336021D+01  0.107413D+00  0.336504D+00
      2   0.511552D+01 -0.353730D+01 -0.457818D+01 -0.277406D+00 -0.503466D+00
      3   0.211779D+01  0.351805D+01 -0.507492D+00  0.108579D+01  0.391038D+00
               201           202           203           204           205 
      1   0.234421D+00  0.456298D+01  0.862960D+00 -0.299269D+01  0.262180D+01
      2  -0.517628D-01  0.129345D+01  0.132849D+01 -0.940144D+00 -0.249730D+01
      3  -0.782838D+00  0.324383D+01  0.411446D+00 -0.339464D+00 -0.185961D+01
               206           207           208           209           210 
      1   0.126257D+01  0.341632D+01 -0.861411D+00  0.443533D+00  0.111910D-03
      2  -0.891215D-01  0.267747D+01 -0.988277D+00  0.428753D+00 -0.417612D-01
      3  -0.818422D+00  0.627353D+00 -0.196876D+01 -0.484704D+00  0.784631D-01
               211           212           213           214           215 
      1   0.161639D+01 -0.203877D+01 -0.266230D+00  0.695979D+00  0.376464D+01
      2   0.840987D-01 -0.398333D+01  0.509699D+01 -0.403213D+01  0.442811D+01
      3   0.390643D+01 -0.335910D+01  0.392555D+01  0.671078D+00  0.442900D+01
               216           217           218           219           220 
      1   0.683985D+00 -0.740264D-01 -0.247778D+01  0.833262D-01  0.197783D+00
      2  -0.102463D+02  0.108627D+01  0.214596D+01 -0.241588D+01  0.587631D+00
      3  -0.508577D+01  0.266412D+01  0.468615D+01 -0.103434D+01  0.241871D+01
               221           222           223           224           225 
      1  -0.126468D+02 -0.492096D+00  0.164548D+01 -0.107383D+01 -0.428066D+00
      2   0.383710D+01 -0.350779D+01 -0.851551D+00 -0.224158D+01  0.197511D+01
      3   0.277200D+02 -0.274910D+01 -0.149028D+01  0.171425D+01  0.247693D+01
               226           227           228           229           230 
      1   0.984721D+00 -0.185210D+01 -0.398317D+01  0.185373D+00  0.199932D+01
      2   0.761506D+01 -0.201340D+01 -0.123602D+02 -0.193829D+01  0.575197D+01
      3  -0.171853D+01  0.197041D+01  0.483129D-01  0.159918D+01 -0.908279D+00
               231           232           233           234           235 
      1   0.389018D+01 -0.218850D+01  0.364716D+01  0.697150D+01  0.153046D+01
      2   0.904153D+01 -0.831230D+01  0.476408D+01  0.230429D+02 -0.190730D+01
      3  -0.433047D+01  0.161535D+00 -0.312687D+01 -0.309602D+01 -0.481110D+01
               236           237           238           239           240 
      1   0.183576D+01  0.107621D+01  0.787199D+00 -0.246397D+00 -0.216942D+00
      2  -0.363080D+00  0.579396D+01  0.541402D+00  0.455193D+00  0.191936D+01
      3  -0.591255D+01 -0.126257D+01 -0.232392D+01  0.776618D+00 -0.922237D+00
               241           242           243 
      1   0.769251D+00  0.120421D+01  0.980065D+00
      2   0.407620D+00  0.111293D+01  0.269563D+01
      3  -0.179048D+01 -0.945401D+00 -0.169252D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.308773D+01  0.131234D+02  0.189995D+02  0.129514D+02  0.152712D+02
      2   0.907432D+01 -0.100950D+02 -0.178988D+02 -0.102404D+02  0.140336D+01
      3  -0.121621D+02 -0.302846D+01 -0.110069D+01 -0.271095D+01 -0.166745D+02
      4   0.137633D+02  0.326954D+01 -0.795952D+01  0.535721D+01 -0.156686D+02
      5   0.283392D+02 -0.141367D+02 -0.278379D+02 -0.150657D+02  0.481987D+01
      6  -0.158002D+02 -0.870286D+01  0.302398D+01 -0.761330D+01  0.106726D+02
                 6             7             8             9            10 
      1   0.139084D+00  0.135246D+02 -0.343193D+00 -0.169813D+02 -0.177826D+02
      2   0.319285D+01 -0.135002D+02  0.256952D+01 -0.149636D+01  0.159577D+02
      3  -0.333193D+01 -0.243884D-01 -0.222633D+01  0.184777D+02  0.182487D+01
      4   0.108079D+02 -0.771647D+01  0.839119D+01  0.736236D+01 -0.357550D+02
      5   0.466142D+01 -0.265727D+02  0.661355D+01 -0.184991D+01 -0.147357D+02
      6  -0.128987D+02  0.368765D+01 -0.116831D+02 -0.143407D+01  0.101966D+02
                11            12            13            14            15 
      1  -0.212729D+02 -0.100715D+02 -0.268637D+02 -0.238781D+02 -0.107000D+02
      2   0.162636D+02  0.653541D+01  0.191102D+02  0.156416D+01  0.580752D+01
      3   0.500928D+01  0.353606D+01  0.775357D+01  0.223139D+02  0.489249D+01
      4  -0.312861D+01  0.402488D+01 -0.679058D+01  0.341374D+01 -0.143321D+02
      5   0.114069D+01  0.135216D+02  0.251474D+01 -0.996062D+01 -0.647103D+01
      6  -0.193048D+01 -0.226490D+01  0.544851D+00  0.812325D+01  0.559657D+01
                16            17            18            19            20 
      1  -0.375865D+01 -0.910032D+01  0.119392D+02  0.609429D+02  0.122166D+02
      2  -0.354338D+01  0.859248D+01  0.909587D+00 -0.522765D+02 -0.124424D+02
      3   0.730202D+01  0.507840D+00 -0.128488D+02 -0.866634D+01  0.225815D+00
      4   0.775169D+01 -0.180370D+02 -0.132526D+02  0.183327D+02 -0.136061D+02
      5   0.138212D+02 -0.965623D+01  0.155675D+02 -0.190565D+02 -0.800080D+01
      6  -0.658019D+01  0.481008D+01 -0.645976D+01 -0.227775D+02 -0.663069D+01
                21            22            23            24            25 
      1   0.906107D+00  0.109746D+02  0.106833D+02 -0.121279D+01  0.443650D+01
      2  -0.224214D+01 -0.133103D+02 -0.785252D+01 -0.652042D+01  0.783247D+00
      3   0.133603D+01  0.233571D+01 -0.283075D+01  0.773322D+01 -0.521975D+01
      4  -0.761789D+01 -0.264288D+02 -0.575596D+01  0.260665D+01 -0.127786D+02
      5  -0.162437D+01 -0.121567D+02 -0.489560D+01  0.785381D+01 -0.751858D+01
      6  -0.117004D+01 -0.975345D+01 -0.638606D+01 -0.227513D+01 -0.764318D+00
                26            27            28            29            30 
      1  -0.161745D+01  0.590122D+01 -0.130119D+03 -0.139674D+02  0.588208D+01
      2  -0.803646D+01  0.799105D+01  0.840392D+02  0.753824D+01 -0.533103D+01
      3   0.965392D+01 -0.138923D+02  0.460802D+02  0.642913D+01 -0.551044D+00
      4   0.551225D+01  0.957089D+01 -0.208447D+02 -0.117919D+02 -0.228477D+00
      5   0.556802D+01 -0.398347D+01  0.369429D+02  0.206375D+01 -0.128548D+02
      6   0.110130D+00  0.754747D+01  0.251731D+02  0.673815D+01  0.620926D+00
                31            32            33            34            35 
      1  -0.403027D+02 -0.268340D+02 -0.576783D+01  0.259675D+02 -0.304382D+01
      2   0.280898D+02  0.207390D+02  0.378602D+01 -0.135918D+02  0.565929D+01
      3   0.122129D+02  0.609499D+01  0.198181D+01 -0.123757D+02 -0.261548D+01
      4  -0.158351D+02 -0.121868D+02 -0.386890D+01  0.316623D+01 -0.334152D+01
      5   0.780315D+01  0.170056D+01 -0.534454D+00 -0.962959D+01  0.222528D+01
      6   0.701650D+01  0.110371D+02  0.500008D+01 -0.330469D-01  0.171079D+01
                36            37            38            39            40 
      1  -0.129161D+02  0.182822D+03  0.329741D+02 -0.174402D+02  0.350823D+02
      2   0.183284D+01 -0.106313D+03 -0.188634D+02  0.118199D+02 -0.172152D+02
      3   0.110833D+02 -0.765087D+02 -0.141107D+02  0.562033D+01 -0.178671D+02
      4   0.152294D+01  0.409485D+02  0.204574D+02  0.135881D+01  0.308330D+02
      5  -0.287997D+00 -0.536203D+02 -0.312771D+01  0.131200D+02 -0.206051D+01
      6   0.474191D+01 -0.249940D+02 -0.677628D+01  0.332211D+00 -0.104025D+02
                41            42            43            44            45 
      1   0.949999D+01 -0.107818D+02 -0.562689D+01 -0.948238D+01  0.106070D+02
      2   0.169790D+01 -0.853646D+00  0.102177D+02  0.371129D+01 -0.516380D+01
      3  -0.111979D+02  0.116355D+02 -0.459082D+01  0.577109D+01 -0.544315D+01
      4   0.669124D+01  0.161471D+01  0.986093D+01  0.580673D+01 -0.104819D+02
      5   0.204296D+01 -0.123109D+02  0.182559D+02 -0.920550D+01  0.656261D+01
      6   0.452809D-01  0.733735D+00  0.551247D+00  0.865486D+00  0.109241D+02
                46            47            48            49            50 
      1  -0.165772D+03 -0.373168D+02  0.345590D+02 -0.525723D+02 -0.214615D+02
      2   0.869019D+02  0.175421D+02 -0.169358D+02  0.270001D+02  0.119354D+02
      3   0.788698D+02  0.197747D+02 -0.176232D+02  0.255722D+02  0.952611D+01
      4  -0.631798D+02 -0.292154D+02  0.980443D+01 -0.198662D+02 -0.903296D+01
      5   0.658560D+02  0.139331D+02 -0.213812D+02  0.299438D+02  0.676290D-01
      6   0.218421D+02  0.230093D+01 -0.560693D+01 -0.603936D+00  0.637920D+01
                51            52            53            54            55 
      1   0.129361D+02  0.281840D+02  0.116830D+02 -0.158344D+02  0.176904D+03
      2  -0.113730D+02 -0.844729D+01  0.139164D+00  0.120596D+02 -0.900402D+02
      3  -0.156314D+01 -0.197367D+02 -0.118221D+02  0.377482D+01 -0.868640D+02
      4  -0.151679D+01  0.219234D+02 -0.409354D+01  0.609405D+01  0.559792D+02
      5   0.705466D+01 -0.193344D+02  0.712941D+01 -0.145038D+02 -0.622568D+02
      6   0.749958D+00  0.506695D+01 -0.321753D+01  0.546779D+01 -0.113541D+02
                56            57            58            59            60 
      1   0.370812D+02 -0.352113D+02  0.658736D+02  0.316493D+02 -0.649014D+01
      2  -0.143309D+02  0.217733D+02 -0.276650D+02 -0.504303D+01  0.204600D+01
      3  -0.227504D+02  0.134381D+02 -0.382086D+02 -0.266063D+02  0.444414D+01
      4   0.359599D+02 -0.104527D+02  0.604831D+02  0.415395D+02 -0.157014D+02
      5  -0.125632D+02  0.338293D+02 -0.220813D+02 -0.174359D+02  0.978408D+01
      6  -0.501433D+01  0.524909D+01 -0.107484D+02 -0.865335D+01  0.895811D+01
                61            62            63            64            65 
      1  -0.735224D+02 -0.116516D+02  0.267242D+02 -0.402625D+01  0.350186D+02
      2   0.437455D+02  0.486640D+01 -0.234701D+02 -0.133946D+02 -0.287309D+02
      3   0.297769D+02  0.678522D+01 -0.325415D+01  0.174209D+02 -0.628761D+01
      4  -0.236070D+02 -0.118965D+02  0.137718D+02  0.339463D+02 -0.138627D+02
      5   0.597781D+02  0.156575D+02 -0.360088D+02  0.154979D+02 -0.604905D+01
      6   0.112360D+02  0.964974D+01 -0.611260D+01 -0.153770D+02  0.320113D+01
                66            67            68            69            70 
      1   0.175601D+02  0.303103D+02  0.805317D+01  0.714506D+00  0.177314D+02
      2  -0.696374D+01 -0.248518D+02  0.130428D+01 -0.852246D+01 -0.249526D+01
      3  -0.105964D+02 -0.545853D+01 -0.935746D+01  0.780795D+01 -0.152362D+02
      4  -0.157211D+02 -0.815428D+01 -0.153315D+02  0.110685D+02 -0.199653D+02
      5  -0.112784D+02 -0.552848D+01  0.110516D+02  0.560789D+01 -0.146972D+02
      6   0.867779D+01  0.415544D+01 -0.113619D+02 -0.527077D+01  0.126704D+02
                71            72            73            74            75 
      1  -0.170697D+01 -0.801013D+01 -0.952186D+01 -0.105418D+02 -0.198006D+01
      2  -0.102380D+02  0.679157D+01  0.572580D+01  0.413581D+01  0.807253D+01
      3   0.119450D+02  0.121856D+01  0.379605D+01  0.640602D+01 -0.609247D+01
      4   0.133871D+02  0.182690D+02 -0.102906D+02  0.540362D+01  0.181107D+02
      5   0.117927D+02 -0.302024D+02  0.663580D+01  0.183076D+02 -0.228692D+02
      6  -0.585206D+01  0.213131D+02  0.330429D+01  0.929961D+01  0.278786D+00
                76            77            78            79            80 
      1  -0.128305D+02  0.220116D+02  0.299733D+02  0.321945D+01  0.304406D+02
      2   0.637380D+01 -0.970971D+01 -0.163937D+02  0.893304D+01 -0.180756D+02
      3   0.645672D+01 -0.123019D+02 -0.135796D+02 -0.121525D+02 -0.123650D+02
      4   0.134974D+02  0.150288D+02  0.123010D+02  0.318790D+02  0.179556D+02
      5   0.295928D+02  0.832142D+01  0.692491D+01 -0.332438D+02  0.415112D+01
      6   0.840301D+01  0.163951D+01 -0.114691D+01 -0.212472D+01 -0.204838D+00
                81            82            83            84            85 
      1  -0.256949D+02 -0.375608D+02  0.346406D+01  0.993974D+01  0.546808D+01
      2   0.180611D+02  0.350559D+02  0.947236D+01 -0.875597D+01  0.860380D+01
      3   0.763382D+01  0.250499D+01 -0.129364D+02 -0.118377D+01 -0.140719D+02
      4  -0.223904D+00  0.174923D+02  0.172789D+02  0.572263D+00  0.224624D+02
      5  -0.114360D+02  0.117297D+02  0.294909D+01  0.198998D+01  0.267433D+01
      6   0.535008D+01  0.178969D+02 -0.590250D+00 -0.406467D-01  0.180897D+01
                86            87            88            89            90 
      1   0.891010D+01 -0.413706D+01  0.233782D+02  0.755888D+00  0.238598D+02
      2  -0.263984D+01  0.127142D+02 -0.196809D+02  0.115359D+02 -0.189402D+02
      3  -0.627026D+01 -0.857713D+01 -0.369729D+01 -0.122918D+02 -0.491961D+01
      4   0.304620D+01 -0.497463D+01 -0.192796D+01 -0.916043D+01 -0.149346D+02
      5   0.264068D+01 -0.120536D+02  0.433691D-01 -0.179256D+02 -0.723629D+01
      6  -0.258168D+00 -0.170646D+02 -0.538229D+01 -0.282495D+02 -0.190011D+02
                91            92            93            94            95 
      1  -0.594859D+02  0.585908D+00 -0.343152D+02 -0.105253D+02  0.229145D+02
      2   0.370253D+02 -0.671232D+01  0.831170D+01  0.302197D+01 -0.241907D+02
      3   0.224605D+02  0.612641D+01  0.260035D+02  0.750328D+01  0.127619D+01
      4   0.145145D+01  0.163176D+02  0.721575D+00  0.120130D+02  0.257721D+02
      5  -0.312701D+02 -0.157418D+01  0.998926D+01 -0.828217D+01  0.424993D+01
      6  -0.443156D+00  0.565967D+01 -0.271955D+00  0.446181D+01  0.789444D+01
                96            97            98            99           100 
      1   0.335013D+01 -0.191650D+02  0.560303D+01  0.190692D+02  0.402101D+02
      2   0.901524D+01  0.267902D+01  0.279564D+00 -0.418623D+01 -0.261375D+02
      3  -0.123654D+02  0.164859D+02 -0.588260D+01 -0.148830D+02 -0.140726D+02
      4   0.171474D+01 -0.405501D+01  0.590424D+01 -0.167770D+02  0.198321D+01
      5  -0.162095D+02  0.156932D+02 -0.140164D+02  0.708762D+01  0.273723D+02
      6   0.245405D+01 -0.272068D+01  0.616455D+01 -0.101983D+02  0.487721D-01
               101           102           103           104           105 
      1  -0.156518D+01  0.182154D+02 -0.105862D+02  0.373546D+01 -0.816478D+01
      2   0.165513D+01 -0.140596D+02  0.747211D+01 -0.308408D+01  0.634237D+01
      3  -0.899546D-01 -0.415580D+01  0.311413D+01 -0.651384D+00  0.182241D+01
      4   0.627914D+01 -0.180510D+01  0.837342D+01 -0.661254D+01  0.509807D+01
      5  -0.403008D+01  0.231845D+02 -0.113070D+02  0.685433D+01 -0.930212D+01
      6   0.103668D+01  0.145141D+01  0.218472D+01 -0.184226D+01  0.360920D+01
               106           107           108           109           110 
      1   0.278224D+02 -0.545859D+01  0.187475D+02  0.552644D+02  0.164301D+02
      2  -0.233233D+02  0.509729D+01 -0.222982D+02 -0.254635D+02 -0.508667D+01
      3  -0.449905D+01  0.361306D+00  0.355068D+01 -0.298010D+02 -0.113434D+02
      4  -0.255796D+01  0.737729D+01 -0.159254D+00  0.293442D+02  0.167619D+02
      5   0.358892D+02 -0.321987D+01  0.375635D+02 -0.185634D+02 -0.808776D+01
      6   0.157239D+01  0.379697D+01  0.197895D+01 -0.693850D+01 -0.353549D+01
               111           112           113           114           115 
      1  -0.150969D+02  0.174588D+02  0.728337D+01 -0.733536D+01 -0.304473D+02
      2   0.662476D+01 -0.447727D+01  0.222295D+01  0.255120D+01  0.140927D+02
      3   0.847213D+01 -0.129815D+02 -0.950633D+01  0.478416D+01  0.163546D+02
      4  -0.107714D+02  0.212814D+02  0.173340D+02 -0.944259D+01 -0.206331D+02
      5   0.169367D+02 -0.954019D+01 -0.778706D+01  0.607017D+01  0.266205D+02
      6   0.396121D+01 -0.487275D+01 -0.321187D+01  0.486816D+01  0.797055D+01
               116           117           118           119           120 
      1  -0.111245D+02  0.169946D+02  0.126396D+01 -0.742727D+00  0.199447D+01
      2   0.368998D+01 -0.111254D+02 -0.393279D+01  0.334513D+00 -0.998790D-01
      3   0.743454D+01 -0.586919D+01  0.266883D+01  0.408214D+00 -0.189459D+01
      4  -0.162375D+02  0.116294D+02 -0.184798D+01  0.291435D+01 -0.170812D+00
      5   0.847201D+01 -0.201607D+02  0.143592D+01 -0.103855D+01  0.627259D+01
      6   0.560372D+01 -0.761641D+01 -0.183706D+01  0.760135D-01  0.399709D+00
               121           122           123           124           125 
      1   0.124475D+01 -0.710531D+01  0.692624D+01  0.200981D+00  0.477214D+01
      2  -0.131036D-01  0.198120D+01  0.489294D+00 -0.827386D+00  0.273399D+01
      3  -0.123164D+01  0.512411D+01 -0.741554D+01  0.626405D+00 -0.750614D+01
      4   0.306624D+01 -0.297832D+01  0.275944D+01 -0.152261D+00  0.461079D+01
      5  -0.138067D+01  0.222447D+01 -0.456059D+01  0.538785D+01 -0.302221D+01
      6   0.411680D+00 -0.544159D+01  0.725383D+01 -0.293110D+00  0.601035D+01
               126           127           128           129           130 
      1  -0.196810D+02 -0.116084D+01  0.750918D+01 -0.323774D+01  0.571100D+01
      2  -0.105326D+02  0.312287D+01 -0.106913D+02  0.367671D+01 -0.596556D+01
      3   0.302136D+02 -0.196203D+01  0.318209D+01 -0.438972D+00  0.254564D+00
      4  -0.410401D+01 -0.198960D+01  0.146761D+01 -0.193851D+01  0.384178D+01
      5   0.107720D+02 -0.143633D+01  0.462525D+00 -0.225367D+00  0.609827D+00
      6  -0.611935D+01 -0.439079D+01  0.130595D+01 -0.228729D+01  0.477278D+00
               131           132           133           134           135 
      1  -0.238885D+02  0.652523D+01 -0.672174D+01  0.128731D+02 -0.119029D+02
      2   0.367763D+02 -0.117644D+02  0.467300D+01 -0.213883D+02  0.130256D+02
      3  -0.128878D+02  0.523912D+01  0.204875D+01  0.851515D+01 -0.112273D+01
      4   0.122507D+02 -0.339177D+01 -0.415209D+01 -0.719763D+01  0.474805D+01
      5  -0.554284D+01  0.551056D+01 -0.434739D+00  0.718668D+01 -0.622417D+01
      6  -0.667530D+01  0.997299D+01 -0.672651D+00  0.120112D+02 -0.806745D+01
               136           137           138           139           140 
      1   0.441592D+01  0.455033D+01  0.346721D+01  0.249697D+01 -0.206224D+02
      2  -0.455655D+01 -0.329459D+01 -0.120823D+01 -0.161811D+01  0.197285D+02
      3   0.140630D+00 -0.125574D+01 -0.225898D+01 -0.878855D+00  0.893957D+00
      4   0.501089D+01  0.557730D+01  0.521698D+01  0.667992D+01  0.156700D+02
      5   0.357187D+01  0.391988D+01  0.628659D+01  0.351112D+01  0.108710D+02
      6   0.412190D+01  0.255032D+00  0.271173D+00  0.318719D+01  0.231743D+02
               141           142           143           144           145 
      1  -0.133625D+02 -0.118393D+01 -0.225054D+02 -0.284666D+02 -0.265823D+01
      2   0.903756D+01  0.130891D+01  0.124279D+02  0.613581D+01 -0.629008D+00
      3   0.432491D+01 -0.124972D+00  0.100774D+02  0.223308D+02  0.328724D+01
      4   0.107383D+02  0.975512D+01  0.163431D+02  0.159181D+02  0.121797D+01
      5   0.104824D+02  0.100959D+02  0.180186D+02  0.228640D+02 -0.221238D+01
      6   0.217199D+02  0.695380D+01  0.319684D+02  0.363288D+02 -0.205803D+01
               146           147           148           149           150 
      1   0.289787D+01 -0.575862D+01  0.338769D+01 -0.134234D+02  0.991222D+01
      2  -0.262983D+00  0.154180D+01 -0.142318D+01  0.516705D+01  0.350975D+01
      3  -0.263489D+01  0.421682D+01 -0.196450D+01  0.825631D+01 -0.134220D+02
      4  -0.839077D-01  0.861798D+00  0.298149D+00  0.188008D+02 -0.812291D+01
      5  -0.854796D+00  0.394098D+01 -0.346642D+01 -0.530451D+01  0.810232D+01
      6   0.444460D+01 -0.227941D+01  0.314607D+01 -0.227124D+02  0.132056D+02
               151           152           153           154           155 
      1  -0.316714D+01  0.682863D+01 -0.727246D+01  0.251785D+02 -0.454276D+01
      2   0.141544D+01  0.136595D+01 -0.277953D+01 -0.236150D+02  0.363266D+01
      3   0.175170D+01 -0.819458D+01  0.100520D+02 -0.156353D+01  0.910098D+00
      4   0.356721D+00 -0.512920D+01  0.464889D+01 -0.127545D+02  0.947392D+01
      5   0.451315D+01  0.320027D+01 -0.399914D+01 -0.406978D+02  0.997736D+01
      6  -0.183378D+01  0.113235D+02 -0.811627D+01  0.887130D+01 -0.649941D+01
               156           157           158           159           160 
      1  -0.901202D+01 -0.476221D+01  0.272100D+00 -0.602294D+00 -0.662673D+01
      2   0.189512D+02  0.389386D+01 -0.182276D+01 -0.334404D+01  0.148825D+02
      3  -0.993918D+01  0.868347D+00  0.155066D+01  0.394634D+01 -0.825576D+01
      4   0.791099D+01  0.908359D+01 -0.572346D+01 -0.802419D+01  0.569444D+01
      5   0.352596D+02  0.106328D+02 -0.903199D+01 -0.972360D+01  0.271450D+02
      6  -0.687778D+01 -0.590764D+01  0.471595D+01  0.865163D+01 -0.526753D+01
               161           162           163           164           165 
      1  -0.528139D+00  0.150855D+01 -0.117869D+02 -0.101561D+02 -0.142314D+02
      2  -0.220444D+01 -0.164226D+02  0.242287D+01  0.529832D+01  0.564672D+00
      3   0.273258D+01  0.149141D+02  0.936403D+01  0.485774D+01  0.136668D+02
      4  -0.484485D+01 -0.682809D+01  0.181702D-01 -0.122184D+01  0.143608D+00
      5  -0.693234D+01 -0.287154D+02  0.752161D+01  0.476972D+01  0.399313D+01
      6   0.645836D+01  0.740795D+01  0.896583D+01  0.962871D+01  0.689050D+01
               166           167           168           169           170 
      1  -0.900634D+01 -0.141361D+02 -0.102085D+02 -0.746467D+01 -0.589932D+01
      2   0.513677D+01  0.821199D+01  0.443400D+00  0.443947D+00 -0.137181D+00
      3   0.386957D+01  0.592407D+01  0.976508D+01  0.702073D+01  0.603650D+01
      4   0.764354D-01 -0.193475D+01 -0.345099D+01  0.557882D+00 -0.188704D+01
      5   0.674678D+01  0.122050D+01 -0.181881D+01  0.657842D+01  0.849542D-01
      6   0.702252D+01  0.107919D+02  0.108812D+02  0.394134D+01  0.758581D+01
               171           172           173           174           175 
      1  -0.975949D+01  0.513672D+01 -0.503342D+01  0.383168D+01 -0.126294D+01
      2  -0.191637D+01 -0.187569D+01  0.269972D+01 -0.292498D+01  0.425106D+00
      3   0.116759D+02 -0.326103D+01  0.233370D+01 -0.906706D+00  0.837837D+00
      4  -0.156841D+01 -0.867978D+01  0.601894D+01 -0.421174D+01  0.402746D+01
      5   0.560569D+00  0.674829D+01 -0.245269D+01  0.108711D+02 -0.137078D+01
      6   0.707284D+01 -0.332080D+01  0.180998D+01 -0.526016D+01  0.216364D+01
               176           177           178           179           180 
      1  -0.356660D+01  0.323530D+01  0.441978D+01  0.483509D+01 -0.536316D+01
      2   0.282786D+01 -0.420028D+01 -0.363087D+01 -0.628489D+01 -0.781180D+01
      3   0.738741D+00  0.964980D+00 -0.788905D+00  0.144980D+01  0.131750D+02
      4  -0.256186D+01  0.603555D+01 -0.869331D+01  0.122822D+02 -0.146687D+02
      5   0.559991D+01 -0.405783D+01  0.159210D+02 -0.114276D+02  0.393608D+02
      6  -0.522182D+01  0.892159D+01 -0.927838D+01  0.134180D+02 -0.309962D+02
               181           182           183           184           185 
      1  -0.147694D+02 -0.246324D+02 -0.561147D+01 -0.156670D+02 -0.278114D+02
      2   0.155827D+02  0.289202D+02  0.417929D+01  0.160513D+02  0.374810D+02
      3  -0.813235D+00 -0.428778D+01  0.143218D+01 -0.384324D+00 -0.966954D+01
      4   0.521248D+01 -0.740873D+00  0.265588D+01  0.551744D+01 -0.708785D+01
      5  -0.333078D+01 -0.688310D+00 -0.110131D+01 -0.961012D+00 -0.320925D+01
      6   0.329432D+01  0.144382D+01  0.515857D+01  0.971437D+00  0.363004D+01
               186           187           188           189           190 
      1  -0.450611D+01 -0.594691D+01 -0.577461D+01 -0.587277D+01  0.450957D+02
      2   0.574734D+01  0.324057D+01  0.840329D+01  0.499705D+01 -0.116806D+02
      3  -0.124124D+01  0.270634D+01 -0.262869D+01  0.875718D+00 -0.334150D+02
      4  -0.144076D+01  0.380068D+01 -0.412149D+01 -0.228950D+01 -0.481160D+02
      5  -0.311349D+01  0.125104D+01 -0.364173D+01  0.103262D+01 -0.152529D+02
      6   0.642553D+01  0.197421D+01  0.745892D+01  0.162419D+01  0.977462D+01
               191           192           193           194           195 
      1  -0.165907D+02 -0.124350D+02 -0.119219D+02  0.445866D+01  0.115605D+01
      2  -0.150823D+01  0.441733D+01 -0.152321D+01  0.806769D+01  0.326407D+01
      3   0.180989D+02  0.801763D+01  0.134451D+02 -0.125263D+02 -0.442012D+01
      4   0.317368D+02  0.133985D+02  0.238813D+02 -0.204614D+02 -0.852963D+01
      5   0.639657D+01  0.135695D+02  0.520833D+01 -0.605702D+01 -0.436177D+01
      6  -0.532671D+01 -0.911168D+01 -0.409475D+01  0.569894D+01  0.529745D+01
               196           197           198           199           200 
      1  -0.161947D+02  0.305508D+01  0.755543D+01 -0.152933D+01 -0.175995D+01
      2   0.441985D+01  0.512598D+01 -0.331805D+01  0.188575D+01  0.155384D+01
      3   0.117748D+02 -0.818106D+01 -0.423739D+01 -0.356420D+00  0.206111D+00
      4   0.207160D+02 -0.166584D+02 -0.138962D+02 -0.150461D+01  0.175528D+01
      5   0.154487D+02 -0.880102D+01 -0.100968D+02  0.236946D+01 -0.153479D+01
      6  -0.105582D+02  0.772666D+01  0.678812D+01 -0.220296D+00  0.363345D+00
               201           202           203           204           205 
      1   0.149284D+01 -0.211360D+01 -0.310272D+01  0.565962D+01  0.297356D+01
      2  -0.108716D+01 -0.167122D+01  0.357614D+01 -0.318605D+01 -0.283031D+01
      3  -0.405679D+00  0.378482D+01 -0.473420D+00 -0.247357D+01 -0.143251D+00
      4  -0.220541D+01  0.161986D+01 -0.227259D+01  0.324512D+01 -0.243807D+01
      5   0.382400D+01 -0.134328D+01  0.152504D+01 -0.267037D+01  0.357535D+01
      6  -0.388012D+00  0.277358D+00 -0.444728D+01  0.388448D+01 -0.581050D+00
               206           207           208           209           210 
      1   0.600250D+01 -0.676299D+01  0.934015D-01  0.215537D+01 -0.343956D+01
      2  -0.501310D+01  0.132128D+01 -0.143292D+01 -0.101634D+01  0.710546D+00
      3  -0.989409D+00  0.544171D+01  0.133952D+01 -0.113903D+01  0.272901D+01
      4   0.379733D+01 -0.456045D+01  0.195436D+01  0.240376D+01 -0.207891D+01
      5  -0.370244D+01  0.566506D+01 -0.267186D+01 -0.233555D+01  0.482469D+01
      6   0.429581D+01 -0.668910D+01 -0.260477D+01  0.278726D+00  0.469322D-01
               211           212           213           214           215 
      1   0.282646D+01 -0.929440D+01  0.103628D+02 -0.284530D+01  0.989680D+01
      2  -0.375314D+01  0.403599D+01 -0.942449D+00  0.144171D+01 -0.245644D+01
      3   0.926676D+00  0.525841D+01 -0.942037D+01  0.140359D+01 -0.744035D+01
      4   0.398850D+00  0.542245D+01 -0.555201D+01 -0.280444D+01 -0.543466D+01
      5  -0.367407D+01 -0.672995D+01  0.976910D+01  0.332032D+01  0.793693D+01
      6  -0.499879D-01 -0.790272D+01  0.826915D+01  0.162234D+01  0.909393D+01
               216           217           218           219           220 
      1  -0.215021D+02  0.356779D+01 -0.940413D+01  0.481085D+01 -0.105982D+02
      2  -0.315879D+01  0.392581D+00  0.793574D+01 -0.922286D+00  0.498893D+01
      3   0.246609D+02 -0.396037D+01  0.146838D+01 -0.388856D+01  0.560923D+01
      4   0.684447D+01 -0.365987D+01 -0.314393D+01  0.104395D+01  0.718719D+01
      5  -0.185233D+02  0.111064D+01 -0.586736D+00 -0.358867D+01 -0.622681D+01
      6  -0.114052D+02 -0.153267D+01 -0.308583D+01  0.158462D+01  0.141556D+01
               221           222           223           224           225 
      1  -0.219158D+02  0.158854D+01  0.283651D+01  0.826566D+00 -0.655133D+01
      2   0.344621D+02 -0.779631D+00 -0.114340D+01  0.239793D+01  0.315929D+01
      3  -0.125463D+02 -0.808905D+00 -0.169311D+01 -0.322450D+01  0.339204D+01
      4  -0.478720D+02  0.588126D+01  0.189572D+01 -0.258729D+01 -0.338303D+01
      5   0.336133D+01 -0.937602D+01 -0.290966D+00 -0.361780D+01  0.904286D+00
      6  -0.164757D+02  0.737320D+01  0.214622D+00  0.509037D+01 -0.706002D+00
               226           227           228           229           230 
      1  -0.527200D+01  0.421688D+01  0.177140D+02  0.555194D+01 -0.979498D+01
      2  -0.211746D+01 -0.206131D+00  0.360701D+00 -0.224575D+01  0.389636D+01
      3   0.738946D+01 -0.401075D+01 -0.180747D+02 -0.330618D+01  0.589862D+01
      4   0.414502D+01 -0.558623D+01 -0.122770D+01 -0.191296D+01  0.185774D+01
      5   0.181059D+01  0.775326D+00 -0.879284D+01  0.256751D+01  0.466658D+01
      6   0.152934D+01 -0.356366D+01 -0.566133D+00 -0.181656D+01  0.316072D+01
               231           232           233           234           235 
      1  -0.719435D+01  0.175899D+02 -0.562802D+01 -0.260985D+02  0.867348D+02
      2  -0.402758D+01 -0.529705D+01 -0.166450D+01 -0.981162D+01 -0.483577D+02
      3   0.112219D+02 -0.122928D+02  0.729253D+01  0.359101D+02 -0.383770D+02
      4   0.635015D+01 -0.394354D+01  0.732976D+01  0.683554D+01 -0.139480D+02
      5   0.112465D+02  0.142726D+01  0.468726D+01  0.273897D+02  0.437084D+02
      6   0.663527D+01 -0.116378D+01  0.536735D+01  0.247065D+01 -0.137017D+01
               236           237           238           239           240 
      1  -0.372477D+01  0.225290D+02  0.418870D+01  0.665466D+01  0.907211D+00
      2   0.772552D+00 -0.161407D+02 -0.322183D+01 -0.186092D+01 -0.188490D+01
      3   0.295222D+01 -0.638827D+01 -0.966873D+00 -0.479374D+01  0.977692D+00
      4   0.124622D+02 -0.381942D+01  0.109632D+02 -0.311719D+01  0.367313D+01
      5  -0.201899D+01  0.242320D+02  0.263999D+01  0.473698D+01  0.349625D+01
      6   0.381362D+01 -0.182200D+01  0.376102D+01 -0.757140D+00  0.228580D+01
               241           242           243 
      1   0.133560D+02 -0.785329D+00  0.970250D+01
      2  -0.109965D+02 -0.174146D+00 -0.991404D+01
      3  -0.235949D+01  0.959475D+00  0.211538D+00
      4  -0.193272D+01  0.192948D+01 -0.877921D-01
      5   0.189109D+02  0.673854D+00  0.134437D+02
      6  -0.197831D+01  0.184363D+01 -0.478595D+00
 Leave Link  716 at Sun Sep 26 21:01:54 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171955D+03  0.822948D+01 -0.445420D+01
      2   0.822948D+01  0.113157D+03 -0.438430D+01
      3  -0.445420D+01 -0.438430D+01  0.114091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.657789D+01  0.105834D+02  0.353643D+01
      2   0.158085D+02 -0.158222D+02 -0.237962D+02
      3  -0.307770D+02  0.405239D+02  0.222339D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.692476D+02  0.500642D+02 -0.192329D+02
      2  -0.494986D+02 -0.365887D+02 -0.142984D+02
      3  -0.197490D+02 -0.134755D+02  0.335313D+02
      4   0.417255D+02 -0.893152D+02 -0.534218D+02
      5  -0.104302D+02 -0.559693D+02 -0.461964D+02
      6  -0.294185D+02  0.223490D+01  0.219099D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.322172D+01 -0.344753D+01 -0.541971D+01 -0.402806D+01 -0.247286D+01
      2  -0.344753D+01 -0.235682D+01  0.335453D+00 -0.247286D+01  0.352022D+01
      3  -0.541971D+01  0.335453D+00  0.226058D+01  0.491754D+00 -0.330055D+01
                 6             7             8             9            10 
      1   0.491754D+00 -0.442274D+01  0.611653D+00  0.241822D+01 -0.203366D+02
      2  -0.330055D+01  0.611653D+00 -0.249889D+01 -0.137558D+01  0.508484D+01
      3  -0.101399D+01  0.241822D+01 -0.137558D+01  0.273027D+01  0.600805D+01
                11            12            13            14            15 
      1   0.508484D+01  0.600805D+01  0.756510D+01  0.725724D+00 -0.958451D+00
      2   0.205901D+01 -0.804094D-01  0.725724D+00 -0.828035D+00  0.274284D+01
      3  -0.804094D-01 -0.256196D+01 -0.958451D+00  0.274284D+01  0.197943D+01
                16            17            18            19            20 
      1   0.155586D+02 -0.826168D+00 -0.430997D+01  0.439171D+02  0.201631D+01
      2  -0.826168D+00  0.344048D+01  0.263835D+01  0.201631D+01  0.403157D+01
      3  -0.430997D+01  0.263835D+01 -0.345886D+01 -0.376082D+01  0.158410D+01
                21            22            23            24            25 
      1  -0.376082D+01 -0.287758D+01  0.740206D+01  0.394323D+01 -0.602929D+01
      2   0.158410D+01  0.740206D+01  0.178157D+01  0.622388D+00  0.318385D+01
      3   0.160164D+01  0.394323D+01  0.622388D+00 -0.410144D+01  0.291947D+01
                26            27            28            29            30 
      1   0.318385D+01  0.291947D+01 -0.604802D+02 -0.665046D+01  0.470443D+01
      2   0.121948D+00 -0.361206D+01 -0.665046D+01 -0.406040D+01 -0.606061D+00
      3  -0.361206D+01  0.276779D+01  0.470443D+01 -0.606061D+00 -0.245245D+01
                31            32            33            34            35 
      1  -0.138463D+02 -0.654641D+01 -0.472108D+00  0.872773D+01  0.244941D+00
      2  -0.654641D+01 -0.395657D+01 -0.136684D+01  0.244941D+00 -0.222346D+00
      3  -0.472108D+00 -0.136684D+01  0.186752D+01 -0.443582D+01  0.210517D+01
                36            37            38            39            40 
      1  -0.443582D+01  0.590301D+02  0.919436D+01 -0.597879D+01  0.145330D+02
      2   0.210517D+01  0.919436D+01  0.320674D+01  0.375352D+00  0.558693D+01
      3  -0.150176D+01 -0.597879D+01  0.375352D+00  0.107043D+01  0.302208D-01
                41            42            43            44            45 
      1   0.558693D+01  0.302208D-01 -0.759842D+01  0.359307D+00  0.360898D+01
      2   0.320185D+01  0.109886D+01  0.359307D+00  0.653676D-01 -0.300279D+01
      3   0.109886D+01 -0.290525D+01  0.360898D+01 -0.300279D+01  0.128365D+01
                46            47            48            49            50 
      1  -0.408493D+02 -0.906924D+01  0.566192D+01 -0.961918D+01 -0.306522D+01
      2  -0.906924D+01 -0.103377D+01  0.159146D+01 -0.306522D+01 -0.783830D+00
      3   0.566192D+01  0.159146D+01  0.175303D+00  0.260251D+01 -0.394000D+00
                51            52            53            54            55 
      1   0.260251D+01  0.245502D+01  0.203812D+01 -0.214165D+01  0.331357D+02
      2  -0.394000D+00  0.203812D+01 -0.355800D-01  0.134753D+01  0.705716D+01
      3   0.169018D+01 -0.214165D+01  0.134753D+01 -0.199877D+01 -0.528437D+01
                56            57            58            59            60 
      1   0.705716D+01 -0.528437D+01  0.153674D+02  0.727097D+01 -0.171145D+01
      2   0.233783D+01 -0.125867D+01  0.727097D+01  0.478384D+01 -0.195921D+01
      3  -0.125867D+01  0.189056D+01 -0.171145D+01 -0.195921D+01  0.586216D+00
                61            62            63            64            65 
      1  -0.163686D+02 -0.319794D+01  0.565955D+01  0.652838D+01 -0.491551D+01
      2  -0.319794D+01 -0.123690D+01  0.174417D+01 -0.491551D+01 -0.211398D+01
      3   0.565955D+01  0.174417D+01 -0.374049D+01 -0.323193D+01  0.575789D+00
                66            67            68            69            70 
      1  -0.323193D+01 -0.431873D+01 -0.193965D+01  0.721744D+00 -0.598983D+01
      2   0.575789D+00 -0.193965D+01  0.833705D+00 -0.229702D+01  0.869779D+00
      3   0.210307D+01  0.721744D+00 -0.229702D+01 -0.983214D+00  0.296816D+01
                71            72            73            74            75 
      1   0.869779D+00  0.296816D+01  0.103875D+01  0.114775D+01 -0.498417D+00
      2  -0.254404D+01 -0.225749D+01  0.114775D+01 -0.302821D+01 -0.324017D+01
      3  -0.225749D+01  0.588638D+01 -0.498417D+00 -0.324017D+01  0.236923D+01
                76            77            78            79            80 
      1   0.179492D+01 -0.317672D+01 -0.454767D+01 -0.122382D+01 -0.442850D+01
      2  -0.317672D+01 -0.236545D+01 -0.134914D+01 -0.442850D+01 -0.193683D+01
      3  -0.454767D+01 -0.134914D+01 -0.131218D+01  0.381140D+01 -0.800820D+00
                81            82            83            84            85 
      1   0.381140D+01 -0.720214D+01 -0.661697D+01 -0.187281D+01 -0.882400D+01
      2  -0.800820D+00 -0.661697D+01 -0.269733D+01  0.115860D+01 -0.458344D+01
      3   0.133878D+01 -0.187281D+01  0.115860D+01 -0.492698D-01  0.490292D+00
                86            87            88            89            90 
      1  -0.458344D+01  0.490292D+00  0.346428D+01  0.203915D+01 -0.209354D+00
      2   0.775616D+00  0.958916D-01  0.203915D+01  0.102534D+01  0.517904D+01
      3   0.958916D-01  0.372084D+01 -0.209354D+00  0.517904D+01  0.229508D+01
                91            92            93            94            95 
      1  -0.900731D+01 -0.699586D+00 -0.296546D+01 -0.243316D+01  0.158990D+01
      2  -0.699586D+00  0.225306D+01 -0.973201D-01  0.158990D+01  0.443997D+01
      3  -0.296546D+01 -0.973201D-01  0.273958D+01 -0.892197D+00  0.111660D+00
                96            97            98            99           100 
      1  -0.892197D+00 -0.631394D+00 -0.648598D+00  0.325580D+01 -0.528353D+01
      2   0.111660D+00 -0.648598D+00  0.619572D+00 -0.240881D+01  0.245206D+00
      3  -0.282905D+01  0.325580D+01 -0.240881D+01 -0.142125D+00 -0.275699D+01
               101           102           103           104           105 
      1   0.245206D+00 -0.275699D+01  0.152139D+01 -0.876402D+00  0.133929D+01
      2  -0.601990D+00  0.453305D+00 -0.876402D+00  0.936474D+00 -0.689478D+00
      3   0.453305D+00 -0.238375D+01  0.133929D+01 -0.689478D+00  0.127287D+01
               106           107           108           109           110 
      1  -0.426397D+01  0.885553D+00 -0.389284D+01 -0.733770D+01 -0.249533D+01
      2   0.885553D+00 -0.120644D+01  0.366942D+00 -0.249533D+01 -0.144532D+01
      3  -0.389284D+01  0.366942D+00 -0.465359D+01  0.227599D+01  0.103730D+01
               111           112           113           114           115 
      1   0.227599D+01 -0.261915D+01 -0.202151D+01  0.128412D+01  0.481167D+01
      2   0.103730D+01 -0.202151D+01 -0.193138D+01  0.989475D+00  0.201565D+01
      3  -0.189793D+01  0.128412D+01  0.989475D+00 -0.837567D+00 -0.329919D+01
               116           117           118           119           120 
      1   0.201565D+01 -0.329919D+01  0.488390D+00  0.665537D+00 -0.839118D+00
      2   0.183274D+01 -0.109591D+01  0.665537D+00 -0.265841D+00 -0.273631D+00
      3  -0.109591D+01  0.261579D+01 -0.839118D+00 -0.273631D+00  0.259786D-02
               121           122           123           124           125 
      1   0.179121D+01 -0.614597D+00 -0.864767D-01 -0.716530D+00  0.239548D-01
      2  -0.614597D+00  0.137806D+01 -0.140877D+01  0.239548D-01 -0.170660D+01
      3  -0.864767D-01 -0.140877D+01  0.215401D+01 -0.544383D+00  0.164012D+01
               126           127           128           129           130 
      1  -0.544383D+00  0.909457D+00 -0.387324D+00  0.687518D+00 -0.208697D+00
      2   0.164012D+01 -0.387324D+00  0.165333D+01 -0.526561D+00  0.749158D+00
      3  -0.604049D+01  0.687518D+00 -0.526561D+00  0.535264D+00 -0.338509D+00
               131           132           133           134           135 
      1   0.749158D+00 -0.338509D+00  0.136654D+01 -0.395989D+00  0.241377D+00
      2  -0.563024D+01  0.170273D+01 -0.395989D+00  0.331377D+01 -0.234977D+01
      3   0.170273D+01 -0.176254D+01  0.241377D+00 -0.234977D+01  0.212759D+01
               136           137           138           139           140 
      1   0.770531D+00 -0.438826D+00 -0.902187D+00  0.118533D+01 -0.400399D+00
      2  -0.438826D+00  0.183695D+00 -0.156959D+00 -0.400399D+00 -0.459885D+01
      3  -0.902187D+00 -0.156959D+00 -0.635358D-01 -0.592119D+00 -0.302824D+01
               141           142           143           144           145 
      1  -0.592119D+00 -0.206591D+01 -0.122520D+01 -0.980723D+00  0.575414D+00
      2  -0.302824D+01 -0.122520D+01 -0.469121D+01 -0.491431D+01 -0.648842D+00
      3  -0.283139D+01 -0.980723D+00 -0.491431D+01 -0.642725D+01  0.968415D+00
               146           147           148           149           150 
      1  -0.648842D+00  0.968415D+00 -0.921895D+00  0.941161D+00 -0.129999D+00
      2   0.947986D+00 -0.371919D+00  0.941161D+00 -0.555532D+01  0.238215D+01
      3  -0.371919D+00  0.348950D+00 -0.129999D+00  0.238215D+01 -0.288613D+01
               151           152           153           154           155 
      1   0.697344D+00 -0.256194D+00  0.796716D-01 -0.641692D+01  0.164993D+01
      2  -0.256194D+00  0.172918D+01 -0.154471D+01  0.164993D+01 -0.111878D+01
      3   0.796716D-01 -0.154471D+01  0.164097D+01  0.427516D+01 -0.989318D+00
               156           157           158           159           160 
      1   0.427516D+01  0.158806D+01 -0.105248D+01 -0.994983D+00  0.251525D+01
      2  -0.989318D+00 -0.105248D+01  0.753600D+00  0.144312D+01 -0.761759D+00
      3  -0.429915D+01 -0.994983D+00  0.144312D+01  0.148581D+01 -0.304689D+01
               161           162           163           164           165 
      1  -0.761759D+00 -0.304689D+01  0.356052D+01  0.185793D+01  0.193858D+01
      2   0.872453D+00  0.104532D+01  0.185793D+01  0.193413D+01  0.104686D+01
      3   0.104532D+01  0.386259D+01  0.193858D+01  0.104686D+01  0.222315D+01
               166           167           168           169           170 
      1   0.207866D+01  0.151042D+01  0.704990D+00  0.109693D+01  0.477203D+00
      2   0.151042D+01  0.223894D+01  0.181061D+01  0.477203D+00  0.104418D+01
      3   0.704990D+00  0.181061D+01  0.220991D+01  0.916161D+00  0.116836D+01
               171           172           173           174           175 
      1   0.916161D+00 -0.143409D+01  0.993271D+00 -0.926317D+00  0.475374D+00
      2   0.116836D+01  0.993271D+00 -0.178489D+00  0.301653D+00 -0.113379D+00
      3   0.194272D+01 -0.926317D+00  0.301653D+00 -0.121310D+01  0.259486D+00
               176           177           178           179           180 
      1  -0.113379D+00  0.259486D+00 -0.140474D+01  0.858103D+00 -0.211326D+01
      2   0.533861D+00 -0.104246D+01  0.858103D+00 -0.220745D+01  0.213553D+01
      3  -0.104246D+01  0.746527D+00 -0.211326D+01  0.213553D+01 -0.746666D+01
               181           182           183           184           185 
      1   0.262443D+01  0.209927D+01  0.783281D+00  0.161138D+01  0.181201D+01
      2   0.209927D+01  0.418268D+01  0.419420D+00  0.181201D+01  0.521804D+01
      3   0.783281D+00  0.419420D+00  0.821080D+00  0.277919D+00  0.828749D+00
               186           187           188           189           190 
      1   0.277919D+00  0.102711D+01  0.175299D+00  0.255916D+00 -0.762208D+01
      2   0.828749D+00  0.175299D+00  0.155123D+01  0.122196D+01  0.411711D+01
      3   0.905403D+00  0.255916D+00  0.122196D+01  0.186602D+00  0.226953D+01
               191           192           193           194           195 
      1   0.411711D+01  0.226953D+01  0.149219D+01 -0.219903D+01 -0.783956D+00
      2  -0.288271D+01 -0.986819D+00 -0.219903D+01  0.236858D+01  0.103074D+01
      3  -0.986819D+00 -0.183317D+01 -0.783956D+00  0.103074D+01  0.662825D+00
               196           197           198           199           200 
      1   0.364764D+01 -0.177969D+01 -0.222095D+01 -0.147683D+01 -0.901437D+00
      2  -0.177969D+01  0.215171D+01  0.141387D+01 -0.901437D+00  0.127030D-01
      3  -0.222095D+01  0.141387D+01  0.137411D+01  0.113505D+01 -0.222752D+00
               201           202           203           204           205 
      1   0.113505D+01 -0.156468D+01  0.835747D+00  0.272562D+00  0.129466D+01
      2  -0.222752D+00  0.835747D+00 -0.134449D+01  0.145382D+01  0.277997D+00
      3   0.359585D+00  0.272562D+00  0.145382D+01 -0.191964D+01  0.621685D+00
               206           207           208           209           210 
      1   0.277997D+00  0.621685D+00  0.906061D+00  0.693816D+00 -0.868036D+00
      2   0.165929D+01 -0.179387D+01  0.693816D+00  0.298071D-01  0.792586D-01
      3  -0.179387D+01  0.379672D+01 -0.868036D+00  0.792586D-01 -0.216065D+00
               211           212           213           214           215 
      1   0.115242D+01 -0.600253D-01 -0.419252D+00 -0.138043D+01 -0.273546D+00
      2  -0.600253D-01  0.192687D+01 -0.191821D+01 -0.273546D+00 -0.214064D+01
      3  -0.419252D+00 -0.191821D+01  0.285504D+01  0.566756D-01  0.253393D+01
               216           217           218           219           220 
      1   0.566756D-01  0.104611D+01 -0.725981D+00  0.172299D+00 -0.214204D+01
      2   0.253393D+01 -0.725981D+00 -0.115427D+01  0.219717D+00  0.251700D+00
      3  -0.579716D+01  0.172299D+00  0.219717D+00 -0.875299D+00 -0.612440D+00
               221           222           223           224           225 
      1   0.251700D+00 -0.612440D+00  0.646890D+00  0.166427D+00 -0.248996D+00
      2  -0.775943D+01  0.871135D+00  0.166427D+00 -0.346764D+00 -0.666492D+00
      3   0.871135D+00 -0.146287D+01 -0.248996D+00 -0.666492D+00  0.295051D+00
               226           227           228           229           230 
      1  -0.454185D+00  0.769630D+00  0.124728D+01  0.843677D+00 -0.544503D+00
      2   0.769630D+00 -0.101530D+01 -0.171332D+00 -0.544503D+00  0.458683D+00
      3   0.124728D+01 -0.171332D+00 -0.267336D+01 -0.105076D+00  0.118734D+01
               231           232           233           234           235 
      1  -0.105076D+00  0.273708D+01 -0.409200D+00 -0.848309D+00  0.101482D+02
      2   0.118734D+01 -0.409200D+00  0.120038D+01  0.107616D+01 -0.595083D+00
      3   0.218817D+01 -0.848309D+00  0.107616D+01  0.582899D+01  0.317747D+01
               236           237           238           239           240 
      1  -0.595083D+00  0.317747D+01  0.403304D+00  0.990860D+00  0.226572D+00
      2   0.112067D+01 -0.196347D+00  0.990860D+00 -0.396273D+00  0.382406D+00
      3  -0.196347D+00  0.201803D+01  0.226572D+00  0.382406D+00  0.520521D+00
               241           242           243 
      1   0.204898D+01 -0.242057D-01  0.147927D+01
      2  -0.242057D-01  0.146043D+00  0.206131D+00
      3   0.147927D+01  0.206131D+00  0.125410D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.609702D+01 -0.565274D+01  0.560388D+00 -0.539750D+01  0.102752D+02
      2   0.806541D+01  0.755263D+01  0.109265D+02  0.705430D+01  0.127488D+02
      3  -0.691447D+01 -0.799849D+01 -0.118505D+01 -0.379011D+01  0.526902D+01
                 6             7             8             9            10 
      1  -0.115779D+02 -0.531767D+00 -0.442122D+01 -0.280415D+01  0.813512D+00
      2   0.849701D+00  0.305205D+01  0.218170D+01 -0.945141D+01 -0.204083D+02
      3  -0.578378D+01 -0.495433D+00 -0.485106D+01 -0.188887D+01  0.134082D+02
                11            12            13            14            15 
      1   0.255512D+01  0.159271D+01  0.257616D+01 -0.476241D+01 -0.501972D+01
      2  -0.163924D+01  0.863029D+01 -0.185507D+01 -0.964421D+01 -0.535147D+01
      3   0.470137D+01  0.444998D+01  0.160070D+02  0.332598D+01  0.679981D+01
                16            17            18            19            20 
      1  -0.460742D-01  0.561286D+01  0.393988D+01 -0.273899D+01 -0.116386D+01
      2   0.803148D+01 -0.568643D+01  0.819996D+01  0.253806D+02  0.258049D+01
      3   0.416453D-01  0.692434D+01  0.414555D+01 -0.170109D+02 -0.641541D+01
                21            22            23            24            25 
      1  -0.101729D+01  0.945024D+00 -0.100490D+01 -0.469046D+01  0.351759D+00
      2   0.945255D+00  0.210878D+01  0.597629D+01  0.650776D+01 -0.152718D+02
      3  -0.661276D-01  0.394652D+01 -0.507264D+01 -0.868570D+00 -0.163961D+01
                26            27            28            29            30 
      1   0.420900D+00  0.433357D+01  0.715098D+01 -0.356735D+00 -0.593930D+00
      2   0.491166D+01  0.120266D+00 -0.285913D+02 -0.571751D+01 -0.157638D+01
      3  -0.262558D+01 -0.334125D+01  0.147492D+02  0.675890D+01  0.817204D+00
                31            32            33            34            35 
      1  -0.599707D+01  0.619761D+00 -0.217400D+01 -0.368737D+01  0.277711D+01
      2  -0.145806D+02 -0.437189D+01 -0.343346D+00 -0.219616D+02 -0.276474D+01
      3   0.327824D+02  0.839358D+01 -0.120558D+01  0.313781D+01  0.122140D+01
                36            37            38            39            40 
      1  -0.400328D+01 -0.737211D+01  0.178612D+01  0.136088D+01  0.683545D+01
      2  -0.167120D+00  0.209028D+02  0.618311D+01  0.429159D+01  0.145073D+02
      3   0.604740D+00 -0.224664D+02 -0.117336D+02 -0.299255D+00 -0.153907D+01
                41            42            43            44            45 
      1  -0.361768D-01 -0.703609D+00  0.927314D+01  0.211715D+01  0.948501D+00
      2   0.594553D+01 -0.532259D+01 -0.105677D+02 -0.658197D+01  0.951826D+01
      3  -0.224118D+01 -0.417551D+01 -0.308832D+01 -0.515395D+01  0.382350D+01
                46            47            48            49            50 
      1   0.671094D+01 -0.100860D+02 -0.242347D+01 -0.626055D+01  0.894851D+01
      2  -0.432727D+01 -0.729773D+01 -0.606362D+01 -0.340733D+01 -0.430925D+00
      3   0.156350D+02  0.150140D+02  0.937434D+00  0.242113D+02  0.465294D+01
                51            52            53            54            55 
      1  -0.124406D+02 -0.149688D+01 -0.150785D+00 -0.122583D+02 -0.370992D+01
      2  -0.124831D+01 -0.200318D+02  0.168787D+01 -0.860925D+01  0.393094D+01
      3   0.445743D+01  0.604232D+00  0.388645D+00 -0.119619D+01 -0.121583D+02
                56            57            58            59            60 
      1   0.300615D+01 -0.182393D+00 -0.171322D+01 -0.336231D+01  0.242940D+00
      2   0.173601D+01  0.150491D+02  0.451160D+01 -0.220852D+01  0.740931D+01
      3  -0.182043D+02  0.180559D+01 -0.146368D+02 -0.161179D+02  0.355594D+01
                61            62            63            64            65 
      1   0.997273D+00  0.271642D+01  0.382889D+01  0.755928D+01 -0.140594D+01
      2   0.466311D+01  0.285948D+01 -0.111808D+02  0.100292D+02 -0.257758D+01
      3   0.474807D+01  0.822858D+01 -0.439816D+01 -0.798611D+01 -0.215239D+02
                66            67            68            69            70 
      1  -0.552503D+01 -0.756924D+00  0.597171D+01  0.221592D+01 -0.853357D+01
      2  -0.379108D+01 -0.243774D+01  0.549863D+01  0.300612D+01 -0.115650D+02
      3  -0.561587D+01 -0.116391D+02 -0.447021D+01 -0.527207D+01 -0.349735D+01
                71            72            73            74            75 
      1   0.919088D+01 -0.139997D+02 -0.418759D+00 -0.286717D+01  0.346419D+01
      2   0.621540D+01 -0.145422D+02  0.232151D+01  0.139999D+02 -0.638592D+01
      3  -0.479874D+01 -0.244691D-01  0.602905D+01 -0.175144D+02 -0.140032D+02
                76            77            78            79            80 
      1  -0.322740D+01 -0.515493D+00 -0.289075D+01  0.585339D+01  0.167066D+01
      2   0.178870D+02  0.405244D+01  0.207495D+01 -0.192812D+02 -0.107685D+01
      3  -0.969061D+01 -0.433805D+01 -0.177428D+01 -0.168562D+02 -0.134836D+01
                81            82            83            84            85 
      1   0.165695D+01  0.240304D+00  0.547961D+01 -0.153809D+01  0.495942D+01
      2  -0.315003D+01 -0.202713D+01 -0.863796D+01  0.535799D+00 -0.122577D+02
      3  -0.589773D+01 -0.874436D+01  0.530496D+01  0.514131D+01  0.152190D+02
                86            87            88            89            90 
      1  -0.724801D+00  0.712473D+01 -0.895400D+00  0.166410D+02  0.142426D+01
      2  -0.452703D+01 -0.530901D+01 -0.278446D+01 -0.640417D+01 -0.328895D+01
      3   0.855071D+01 -0.274809D+01  0.740159D+01 -0.275928D+01  0.933195D+01
                91            92            93            94            95 
      1  -0.271194D+01  0.594061D+01  0.434847D+01 -0.156609D+01  0.810742D+01
      2  -0.288597D+01  0.529299D+00  0.186522D+02 -0.153301D+01 -0.359303D+01
      3   0.699118D+01 -0.108489D+02  0.270590D+01 -0.121071D+01 -0.173837D+02
                96            97            98            99           100 
      1  -0.779623D+01 -0.637628D+00  0.468044D+01 -0.463533D+01 -0.233501D+01
      2  -0.120437D+02  0.102782D+02 -0.849758D+01 -0.462918D+01  0.572448D+01
      3   0.120318D+00  0.280402D+01 -0.416818D+01  0.589202D+01  0.513047D+01
               101           102           103           104           105 
      1   0.158803D+01 -0.201576D+01  0.119786D+01 -0.176858D+01  0.378729D+00
      2  -0.182945D+01  0.863354D+01 -0.379652D+01  0.185865D+01 -0.405893D+01
      3  -0.371288D+01  0.415559D+01 -0.220672D+01  0.487581D+01 -0.324005D+01
               106           107           108           109           110 
      1  -0.367419D+01  0.326717D+01 -0.383255D+01  0.286135D+01  0.434711D+00
      2   0.858105D+01 -0.108348D+01  0.146869D+02 -0.951045D+01 -0.425955D+01
      3   0.681349D+01 -0.609830D+01  0.468882D+01 -0.601648D+00 -0.510016D+01
               111           112           113           114           115 
      1  -0.285236D+01  0.201655D+01  0.886596D+00 -0.230512D+01 -0.334332D+01
      2   0.976588D+01 -0.548584D+01 -0.406714D+01  0.421820D+01  0.107303D+02
      3   0.130015D+01 -0.179404D+01 -0.517449D+01  0.209378D+01  0.247759D+01
               116           117           118           119           120 
      1   0.275750D+00  0.350740D+01 -0.751383D+00  0.117664D+00  0.107204D+00
      2   0.395697D+01 -0.116280D+02  0.277803D+01  0.713976D+00  0.378490D+00
      3   0.594382D+01 -0.490630D+00  0.870587D+00 -0.989745D+00  0.313149D+00
               121           122           123           124           125 
      1  -0.132612D+01 -0.287043D+01  0.851425D+00 -0.891974D+00  0.443856D+01
      2   0.174457D+01  0.681900D+00 -0.251369D+01 -0.377366D+01 -0.165634D+01
      3   0.171538D+01  0.926403D+00 -0.114985D+01  0.120430D-01 -0.159729D+01
               126           127           128           129           130 
      1  -0.277276D+01  0.228443D+01 -0.219460D+01  0.243604D+01 -0.178881D+01
      2   0.550184D+01 -0.717522D+00  0.802945D+00  0.647219D+00  0.115709D+01
      3   0.208425D+01 -0.335730D+01  0.232481D+01 -0.278779D+01  0.427595D+01
               131           132           133           134           135 
      1   0.758448D+01 -0.758520D+01  0.110792D+01 -0.645525D+01  0.879906D+01
      2  -0.205456D+01  0.232340D+01 -0.833962D+00  0.347721D+01 -0.299381D+01
      3  -0.115828D+02  0.402861D+01 -0.506219D+01  0.680162D+01 -0.538097D+01
               136           137           138           139           140 
      1  -0.111969D+01 -0.659265D+00  0.106048D+00 -0.551868D+00 -0.682482D+00
      2   0.186253D+01 -0.712119D-01  0.103399D+00  0.148150D+00  0.494510D+01
      3  -0.938849D+00  0.542440D-01  0.128224D+01  0.144335D+01 -0.799814D+01
               141           142           143           144           145 
      1  -0.508947D+01 -0.265809D+00 -0.335392D+01 -0.101558D+02 -0.166484D+01
      2   0.472676D+01 -0.283663D+01  0.746765D+01  0.104011D+02 -0.441501D+01
      3  -0.457595D+01  0.255692D+01 -0.681164D+01 -0.784703D+01 -0.161203D+01
               146           147           148           149           150 
      1   0.298081D+01 -0.458852D+00  0.284484D+01 -0.151641D+02  0.232257D+01
      2   0.241325D+01 -0.170702D+01  0.419388D+01 -0.750578D+01  0.555185D+01
      3   0.102178D+01 -0.445444D+00  0.416966D+01 -0.904227D+01  0.386532D+01
               151           152           153           154           155 
      1  -0.545235D+00  0.500317D+01 -0.307248D+01  0.216064D+01 -0.331959D+01
      2  -0.297088D+01  0.368900D+01 -0.305985D+01  0.517624D+01 -0.145498D+01
      3  -0.911072D+00  0.271324D+01 -0.261980D+01  0.136280D+01 -0.380767D+01
               156           157           158           159           160 
      1  -0.415598D-01 -0.159693D+01  0.116209D+01  0.116324D+01 -0.954382D+00
      2   0.300911D+01 -0.219851D+01 -0.125138D+01 -0.153198D+01 -0.306293D+01
      3  -0.795187D+00 -0.689480D+00  0.159001D+01  0.249391D+01 -0.177176D+00
               161           162           163           164           165 
      1   0.334482D+01  0.417030D+00  0.328840D+01  0.486992D+01  0.122894D+00
      2  -0.332153D+00 -0.190866D+01 -0.149312D+02 -0.674820D+01 -0.694350D+01
      3   0.242958D+01  0.106574D+01  0.681904D+01  0.285301D+01  0.291698D+01
               166           167           168           169           170 
      1   0.315129D+01  0.422396D+01  0.903463D+00  0.624714D+00  0.321802D+01
      2  -0.756145D+01 -0.744499D+01 -0.489747D+01 -0.654691D+01 -0.362209D+01
      3   0.571022D+01  0.373630D+01  0.360277D+01  0.172468D+01  0.129751D+01
               171           172           173           174           175 
      1   0.143492D+01  0.166823D+01 -0.294330D+00  0.287098D+01 -0.901193D+00
      2  -0.534552D+01  0.164925D+01 -0.580483D+00  0.358317D+01 -0.357511D+00
      3   0.281465D+01  0.539304D+00  0.489157D+00 -0.941123D+00  0.144936D+01
               176           177           178           179           180 
      1   0.214411D+01 -0.254175D+01  0.414491D+01 -0.329658D+00  0.173331D+02
      2   0.252462D+01 -0.177099D+01  0.183338D+01 -0.468337D+01  0.183910D+02
      3   0.111565D+01 -0.200289D+01 -0.154906D+01 -0.482943D+01  0.210388D+01
               181           182           183           184           185 
      1  -0.208674D+01 -0.856924D+00 -0.325124D+01 -0.115195D+01 -0.236286D+01
      2  -0.151176D+01 -0.605590D+00 -0.233503D+00 -0.307720D+00 -0.146314D+01
      3   0.154958D+02  0.143967D+02  0.319580D+01  0.112368D+02  0.177803D+02
               186           187           188           189           190 
      1  -0.426758D+01 -0.808106D+00 -0.139354D+01 -0.536959D+00 -0.541883D+01
      2  -0.106832D+01 -0.148509D+01 -0.261453D+01 -0.203932D+00 -0.625159D+01
      3   0.307656D+01  0.314433D+01  0.432246D+01  0.380749D+01 -0.460791D+01
               191           192           193           194           195 
      1   0.181245D+01  0.551926D+01  0.258742D+01 -0.241185D+01 -0.308328D+01
      2   0.302532D+01  0.766541D+01  0.189798D+01 -0.305884D+01 -0.281819D+01
      3  -0.229795D+01  0.225483D+01  0.215952D+01  0.268364D+01  0.890631D+00
               196           197           198           199           200 
      1   0.453088D+01 -0.149729D+01 -0.336021D+01  0.107413D+00  0.336504D+00
      2   0.511552D+01 -0.353730D+01 -0.457818D+01 -0.277406D+00 -0.503466D+00
      3   0.211779D+01  0.351805D+01 -0.507492D+00  0.108579D+01  0.391038D+00
               201           202           203           204           205 
      1   0.234421D+00  0.456298D+01  0.862960D+00 -0.299269D+01  0.262180D+01
      2  -0.517628D-01  0.129345D+01  0.132849D+01 -0.940144D+00 -0.249730D+01
      3  -0.782838D+00  0.324383D+01  0.411446D+00 -0.339464D+00 -0.185961D+01
               206           207           208           209           210 
      1   0.126257D+01  0.341632D+01 -0.861411D+00  0.443533D+00  0.111910D-03
      2  -0.891215D-01  0.267747D+01 -0.988277D+00  0.428753D+00 -0.417612D-01
      3  -0.818422D+00  0.627353D+00 -0.196876D+01 -0.484704D+00  0.784631D-01
               211           212           213           214           215 
      1   0.161639D+01 -0.203877D+01 -0.266230D+00  0.695979D+00  0.376464D+01
      2   0.840987D-01 -0.398333D+01  0.509699D+01 -0.403213D+01  0.442811D+01
      3   0.390643D+01 -0.335910D+01  0.392555D+01  0.671078D+00  0.442900D+01
               216           217           218           219           220 
      1   0.683985D+00 -0.740264D-01 -0.247778D+01  0.833262D-01  0.197783D+00
      2  -0.102463D+02  0.108627D+01  0.214596D+01 -0.241588D+01  0.587631D+00
      3  -0.508577D+01  0.266412D+01  0.468615D+01 -0.103434D+01  0.241871D+01
               221           222           223           224           225 
      1  -0.126468D+02 -0.492096D+00  0.164548D+01 -0.107383D+01 -0.428066D+00
      2   0.383710D+01 -0.350779D+01 -0.851551D+00 -0.224158D+01  0.197511D+01
      3   0.277200D+02 -0.274910D+01 -0.149028D+01  0.171425D+01  0.247693D+01
               226           227           228           229           230 
      1   0.984721D+00 -0.185210D+01 -0.398317D+01  0.185373D+00  0.199932D+01
      2   0.761506D+01 -0.201340D+01 -0.123602D+02 -0.193829D+01  0.575197D+01
      3  -0.171853D+01  0.197041D+01  0.483129D-01  0.159918D+01 -0.908279D+00
               231           232           233           234           235 
      1   0.389018D+01 -0.218850D+01  0.364716D+01  0.697150D+01  0.153046D+01
      2   0.904153D+01 -0.831230D+01  0.476408D+01  0.230429D+02 -0.190730D+01
      3  -0.433047D+01  0.161535D+00 -0.312687D+01 -0.309602D+01 -0.481110D+01
               236           237           238           239           240 
      1   0.183576D+01  0.107621D+01  0.787199D+00 -0.246397D+00 -0.216942D+00
      2  -0.363080D+00  0.579396D+01  0.541402D+00  0.455193D+00  0.191936D+01
      3  -0.591255D+01 -0.126257D+01 -0.232392D+01  0.776618D+00 -0.922237D+00
               241           242           243 
      1   0.769251D+00  0.120421D+01  0.980065D+00
      2   0.407620D+00  0.111293D+01  0.269563D+01
      3  -0.179048D+01 -0.945401D+00 -0.169252D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.308773D+01  0.131234D+02  0.189995D+02  0.129514D+02  0.152712D+02
      2   0.907432D+01 -0.100950D+02 -0.178988D+02 -0.102404D+02  0.140336D+01
      3  -0.121621D+02 -0.302846D+01 -0.110069D+01 -0.271095D+01 -0.166745D+02
      4   0.137633D+02  0.326954D+01 -0.795952D+01  0.535721D+01 -0.156686D+02
      5   0.283392D+02 -0.141367D+02 -0.278379D+02 -0.150657D+02  0.481987D+01
      6  -0.158002D+02 -0.870286D+01  0.302398D+01 -0.761330D+01  0.106726D+02
                 6             7             8             9            10 
      1   0.139084D+00  0.135246D+02 -0.343193D+00 -0.169813D+02 -0.177826D+02
      2   0.319285D+01 -0.135002D+02  0.256952D+01 -0.149636D+01  0.159577D+02
      3  -0.333193D+01 -0.243884D-01 -0.222633D+01  0.184777D+02  0.182487D+01
      4   0.108079D+02 -0.771647D+01  0.839119D+01  0.736236D+01 -0.357550D+02
      5   0.466142D+01 -0.265727D+02  0.661355D+01 -0.184991D+01 -0.147357D+02
      6  -0.128987D+02  0.368765D+01 -0.116831D+02 -0.143407D+01  0.101966D+02
                11            12            13            14            15 
      1  -0.212729D+02 -0.100715D+02 -0.268637D+02 -0.238781D+02 -0.107000D+02
      2   0.162636D+02  0.653541D+01  0.191102D+02  0.156416D+01  0.580752D+01
      3   0.500928D+01  0.353606D+01  0.775357D+01  0.223139D+02  0.489249D+01
      4  -0.312861D+01  0.402488D+01 -0.679058D+01  0.341374D+01 -0.143321D+02
      5   0.114069D+01  0.135216D+02  0.251474D+01 -0.996062D+01 -0.647103D+01
      6  -0.193048D+01 -0.226490D+01  0.544851D+00  0.812325D+01  0.559657D+01
                16            17            18            19            20 
      1  -0.375865D+01 -0.910032D+01  0.119392D+02  0.609429D+02  0.122166D+02
      2  -0.354338D+01  0.859248D+01  0.909587D+00 -0.522765D+02 -0.124424D+02
      3   0.730202D+01  0.507840D+00 -0.128488D+02 -0.866634D+01  0.225815D+00
      4   0.775169D+01 -0.180370D+02 -0.132526D+02  0.183327D+02 -0.136061D+02
      5   0.138212D+02 -0.965623D+01  0.155675D+02 -0.190565D+02 -0.800080D+01
      6  -0.658019D+01  0.481008D+01 -0.645976D+01 -0.227775D+02 -0.663069D+01
                21            22            23            24            25 
      1   0.906107D+00  0.109746D+02  0.106833D+02 -0.121279D+01  0.443650D+01
      2  -0.224214D+01 -0.133103D+02 -0.785252D+01 -0.652042D+01  0.783247D+00
      3   0.133603D+01  0.233571D+01 -0.283075D+01  0.773322D+01 -0.521975D+01
      4  -0.761789D+01 -0.264288D+02 -0.575596D+01  0.260665D+01 -0.127786D+02
      5  -0.162437D+01 -0.121567D+02 -0.489560D+01  0.785381D+01 -0.751858D+01
      6  -0.117004D+01 -0.975345D+01 -0.638606D+01 -0.227513D+01 -0.764318D+00
                26            27            28            29            30 
      1  -0.161745D+01  0.590122D+01 -0.130119D+03 -0.139674D+02  0.588208D+01
      2  -0.803646D+01  0.799105D+01  0.840392D+02  0.753824D+01 -0.533103D+01
      3   0.965392D+01 -0.138923D+02  0.460802D+02  0.642913D+01 -0.551044D+00
      4   0.551225D+01  0.957089D+01 -0.208447D+02 -0.117919D+02 -0.228477D+00
      5   0.556802D+01 -0.398347D+01  0.369429D+02  0.206375D+01 -0.128548D+02
      6   0.110130D+00  0.754747D+01  0.251731D+02  0.673815D+01  0.620926D+00
                31            32            33            34            35 
      1  -0.403027D+02 -0.268340D+02 -0.576783D+01  0.259675D+02 -0.304382D+01
      2   0.280898D+02  0.207390D+02  0.378602D+01 -0.135918D+02  0.565929D+01
      3   0.122129D+02  0.609499D+01  0.198181D+01 -0.123757D+02 -0.261548D+01
      4  -0.158351D+02 -0.121868D+02 -0.386890D+01  0.316623D+01 -0.334152D+01
      5   0.780315D+01  0.170056D+01 -0.534454D+00 -0.962959D+01  0.222528D+01
      6   0.701650D+01  0.110371D+02  0.500008D+01 -0.330469D-01  0.171079D+01
                36            37            38            39            40 
      1  -0.129161D+02  0.182822D+03  0.329741D+02 -0.174402D+02  0.350823D+02
      2   0.183284D+01 -0.106313D+03 -0.188634D+02  0.118199D+02 -0.172152D+02
      3   0.110833D+02 -0.765087D+02 -0.141107D+02  0.562033D+01 -0.178671D+02
      4   0.152294D+01  0.409485D+02  0.204574D+02  0.135881D+01  0.308330D+02
      5  -0.287997D+00 -0.536203D+02 -0.312771D+01  0.131200D+02 -0.206051D+01
      6   0.474191D+01 -0.249940D+02 -0.677628D+01  0.332211D+00 -0.104025D+02
                41            42            43            44            45 
      1   0.949999D+01 -0.107818D+02 -0.562689D+01 -0.948238D+01  0.106070D+02
      2   0.169790D+01 -0.853646D+00  0.102177D+02  0.371129D+01 -0.516380D+01
      3  -0.111979D+02  0.116355D+02 -0.459082D+01  0.577109D+01 -0.544315D+01
      4   0.669124D+01  0.161471D+01  0.986093D+01  0.580673D+01 -0.104819D+02
      5   0.204296D+01 -0.123109D+02  0.182559D+02 -0.920550D+01  0.656261D+01
      6   0.452809D-01  0.733735D+00  0.551247D+00  0.865486D+00  0.109241D+02
                46            47            48            49            50 
      1  -0.165772D+03 -0.373168D+02  0.345590D+02 -0.525723D+02 -0.214615D+02
      2   0.869019D+02  0.175421D+02 -0.169358D+02  0.270001D+02  0.119354D+02
      3   0.788698D+02  0.197747D+02 -0.176232D+02  0.255722D+02  0.952611D+01
      4  -0.631798D+02 -0.292154D+02  0.980443D+01 -0.198662D+02 -0.903296D+01
      5   0.658560D+02  0.139331D+02 -0.213812D+02  0.299438D+02  0.676290D-01
      6   0.218421D+02  0.230093D+01 -0.560693D+01 -0.603936D+00  0.637920D+01
                51            52            53            54            55 
      1   0.129361D+02  0.281840D+02  0.116830D+02 -0.158344D+02  0.176904D+03
      2  -0.113730D+02 -0.844729D+01  0.139164D+00  0.120596D+02 -0.900402D+02
      3  -0.156314D+01 -0.197367D+02 -0.118221D+02  0.377482D+01 -0.868640D+02
      4  -0.151679D+01  0.219234D+02 -0.409354D+01  0.609405D+01  0.559792D+02
      5   0.705466D+01 -0.193344D+02  0.712941D+01 -0.145038D+02 -0.622568D+02
      6   0.749958D+00  0.506695D+01 -0.321753D+01  0.546779D+01 -0.113541D+02
                56            57            58            59            60 
      1   0.370812D+02 -0.352113D+02  0.658736D+02  0.316493D+02 -0.649014D+01
      2  -0.143309D+02  0.217733D+02 -0.276650D+02 -0.504303D+01  0.204600D+01
      3  -0.227504D+02  0.134381D+02 -0.382086D+02 -0.266063D+02  0.444414D+01
      4   0.359599D+02 -0.104527D+02  0.604831D+02  0.415395D+02 -0.157014D+02
      5  -0.125632D+02  0.338293D+02 -0.220813D+02 -0.174359D+02  0.978408D+01
      6  -0.501433D+01  0.524909D+01 -0.107484D+02 -0.865335D+01  0.895811D+01
                61            62            63            64            65 
      1  -0.735224D+02 -0.116516D+02  0.267242D+02 -0.402625D+01  0.350186D+02
      2   0.437455D+02  0.486640D+01 -0.234701D+02 -0.133946D+02 -0.287309D+02
      3   0.297769D+02  0.678522D+01 -0.325415D+01  0.174209D+02 -0.628761D+01
      4  -0.236070D+02 -0.118965D+02  0.137718D+02  0.339463D+02 -0.138627D+02
      5   0.597781D+02  0.156575D+02 -0.360088D+02  0.154979D+02 -0.604905D+01
      6   0.112360D+02  0.964974D+01 -0.611260D+01 -0.153770D+02  0.320113D+01
                66            67            68            69            70 
      1   0.175601D+02  0.303103D+02  0.805317D+01  0.714506D+00  0.177314D+02
      2  -0.696374D+01 -0.248518D+02  0.130428D+01 -0.852246D+01 -0.249526D+01
      3  -0.105964D+02 -0.545853D+01 -0.935746D+01  0.780795D+01 -0.152362D+02
      4  -0.157211D+02 -0.815428D+01 -0.153315D+02  0.110685D+02 -0.199653D+02
      5  -0.112784D+02 -0.552848D+01  0.110516D+02  0.560789D+01 -0.146972D+02
      6   0.867779D+01  0.415544D+01 -0.113619D+02 -0.527077D+01  0.126704D+02
                71            72            73            74            75 
      1  -0.170697D+01 -0.801013D+01 -0.952186D+01 -0.105418D+02 -0.198006D+01
      2  -0.102380D+02  0.679157D+01  0.572580D+01  0.413581D+01  0.807253D+01
      3   0.119450D+02  0.121856D+01  0.379605D+01  0.640602D+01 -0.609247D+01
      4   0.133871D+02  0.182690D+02 -0.102906D+02  0.540362D+01  0.181107D+02
      5   0.117927D+02 -0.302024D+02  0.663580D+01  0.183076D+02 -0.228692D+02
      6  -0.585206D+01  0.213131D+02  0.330429D+01  0.929961D+01  0.278786D+00
                76            77            78            79            80 
      1  -0.128305D+02  0.220116D+02  0.299733D+02  0.321945D+01  0.304406D+02
      2   0.637380D+01 -0.970971D+01 -0.163937D+02  0.893304D+01 -0.180756D+02
      3   0.645672D+01 -0.123019D+02 -0.135796D+02 -0.121525D+02 -0.123650D+02
      4   0.134974D+02  0.150288D+02  0.123010D+02  0.318790D+02  0.179556D+02
      5   0.295928D+02  0.832142D+01  0.692491D+01 -0.332438D+02  0.415112D+01
      6   0.840301D+01  0.163951D+01 -0.114691D+01 -0.212472D+01 -0.204838D+00
                81            82            83            84            85 
      1  -0.256949D+02 -0.375608D+02  0.346406D+01  0.993974D+01  0.546808D+01
      2   0.180611D+02  0.350559D+02  0.947236D+01 -0.875597D+01  0.860380D+01
      3   0.763382D+01  0.250499D+01 -0.129364D+02 -0.118377D+01 -0.140719D+02
      4  -0.223904D+00  0.174923D+02  0.172789D+02  0.572263D+00  0.224624D+02
      5  -0.114360D+02  0.117297D+02  0.294909D+01  0.198998D+01  0.267433D+01
      6   0.535008D+01  0.178969D+02 -0.590250D+00 -0.406467D-01  0.180897D+01
                86            87            88            89            90 
      1   0.891010D+01 -0.413706D+01  0.233782D+02  0.755888D+00  0.238598D+02
      2  -0.263984D+01  0.127142D+02 -0.196809D+02  0.115359D+02 -0.189402D+02
      3  -0.627026D+01 -0.857713D+01 -0.369729D+01 -0.122918D+02 -0.491961D+01
      4   0.304620D+01 -0.497463D+01 -0.192796D+01 -0.916043D+01 -0.149346D+02
      5   0.264068D+01 -0.120536D+02  0.433691D-01 -0.179256D+02 -0.723629D+01
      6  -0.258168D+00 -0.170646D+02 -0.538229D+01 -0.282495D+02 -0.190011D+02
                91            92            93            94            95 
      1  -0.594859D+02  0.585908D+00 -0.343152D+02 -0.105253D+02  0.229145D+02
      2   0.370253D+02 -0.671232D+01  0.831170D+01  0.302197D+01 -0.241907D+02
      3   0.224605D+02  0.612641D+01  0.260035D+02  0.750328D+01  0.127619D+01
      4   0.145145D+01  0.163176D+02  0.721575D+00  0.120130D+02  0.257721D+02
      5  -0.312701D+02 -0.157418D+01  0.998926D+01 -0.828217D+01  0.424993D+01
      6  -0.443156D+00  0.565967D+01 -0.271955D+00  0.446181D+01  0.789444D+01
                96            97            98            99           100 
      1   0.335013D+01 -0.191650D+02  0.560303D+01  0.190692D+02  0.402101D+02
      2   0.901524D+01  0.267902D+01  0.279564D+00 -0.418623D+01 -0.261375D+02
      3  -0.123654D+02  0.164859D+02 -0.588260D+01 -0.148830D+02 -0.140726D+02
      4   0.171474D+01 -0.405501D+01  0.590424D+01 -0.167770D+02  0.198321D+01
      5  -0.162095D+02  0.156932D+02 -0.140164D+02  0.708762D+01  0.273723D+02
      6   0.245405D+01 -0.272068D+01  0.616455D+01 -0.101983D+02  0.487721D-01
               101           102           103           104           105 
      1  -0.156518D+01  0.182154D+02 -0.105862D+02  0.373546D+01 -0.816478D+01
      2   0.165513D+01 -0.140596D+02  0.747211D+01 -0.308408D+01  0.634237D+01
      3  -0.899546D-01 -0.415580D+01  0.311413D+01 -0.651384D+00  0.182241D+01
      4   0.627914D+01 -0.180510D+01  0.837342D+01 -0.661254D+01  0.509807D+01
      5  -0.403008D+01  0.231845D+02 -0.113070D+02  0.685433D+01 -0.930212D+01
      6   0.103668D+01  0.145141D+01  0.218472D+01 -0.184226D+01  0.360920D+01
               106           107           108           109           110 
      1   0.278224D+02 -0.545859D+01  0.187475D+02  0.552644D+02  0.164301D+02
      2  -0.233233D+02  0.509729D+01 -0.222982D+02 -0.254635D+02 -0.508667D+01
      3  -0.449905D+01  0.361306D+00  0.355068D+01 -0.298010D+02 -0.113434D+02
      4  -0.255796D+01  0.737729D+01 -0.159254D+00  0.293442D+02  0.167619D+02
      5   0.358892D+02 -0.321987D+01  0.375635D+02 -0.185634D+02 -0.808776D+01
      6   0.157239D+01  0.379697D+01  0.197895D+01 -0.693850D+01 -0.353549D+01
               111           112           113           114           115 
      1  -0.150969D+02  0.174588D+02  0.728337D+01 -0.733536D+01 -0.304473D+02
      2   0.662476D+01 -0.447727D+01  0.222295D+01  0.255120D+01  0.140927D+02
      3   0.847213D+01 -0.129815D+02 -0.950633D+01  0.478416D+01  0.163546D+02
      4  -0.107714D+02  0.212814D+02  0.173340D+02 -0.944259D+01 -0.206331D+02
      5   0.169367D+02 -0.954019D+01 -0.778706D+01  0.607017D+01  0.266205D+02
      6   0.396121D+01 -0.487275D+01 -0.321187D+01  0.486816D+01  0.797055D+01
               116           117           118           119           120 
      1  -0.111245D+02  0.169946D+02  0.126396D+01 -0.742727D+00  0.199447D+01
      2   0.368998D+01 -0.111254D+02 -0.393279D+01  0.334513D+00 -0.998790D-01
      3   0.743454D+01 -0.586919D+01  0.266883D+01  0.408214D+00 -0.189459D+01
      4  -0.162375D+02  0.116294D+02 -0.184798D+01  0.291435D+01 -0.170812D+00
      5   0.847201D+01 -0.201607D+02  0.143592D+01 -0.103855D+01  0.627259D+01
      6   0.560372D+01 -0.761641D+01 -0.183706D+01  0.760135D-01  0.399709D+00
               121           122           123           124           125 
      1   0.124475D+01 -0.710531D+01  0.692624D+01  0.200981D+00  0.477214D+01
      2  -0.131036D-01  0.198120D+01  0.489294D+00 -0.827386D+00  0.273399D+01
      3  -0.123164D+01  0.512411D+01 -0.741554D+01  0.626405D+00 -0.750614D+01
      4   0.306624D+01 -0.297832D+01  0.275944D+01 -0.152261D+00  0.461079D+01
      5  -0.138067D+01  0.222447D+01 -0.456059D+01  0.538785D+01 -0.302221D+01
      6   0.411680D+00 -0.544159D+01  0.725383D+01 -0.293110D+00  0.601035D+01
               126           127           128           129           130 
      1  -0.196810D+02 -0.116084D+01  0.750918D+01 -0.323774D+01  0.571100D+01
      2  -0.105326D+02  0.312287D+01 -0.106913D+02  0.367671D+01 -0.596556D+01
      3   0.302136D+02 -0.196203D+01  0.318209D+01 -0.438972D+00  0.254564D+00
      4  -0.410401D+01 -0.198960D+01  0.146761D+01 -0.193851D+01  0.384178D+01
      5   0.107720D+02 -0.143633D+01  0.462525D+00 -0.225367D+00  0.609827D+00
      6  -0.611935D+01 -0.439079D+01  0.130595D+01 -0.228729D+01  0.477278D+00
               131           132           133           134           135 
      1  -0.238885D+02  0.652523D+01 -0.672174D+01  0.128731D+02 -0.119029D+02
      2   0.367763D+02 -0.117644D+02  0.467300D+01 -0.213883D+02  0.130256D+02
      3  -0.128878D+02  0.523912D+01  0.204875D+01  0.851515D+01 -0.112273D+01
      4   0.122507D+02 -0.339177D+01 -0.415209D+01 -0.719763D+01  0.474805D+01
      5  -0.554284D+01  0.551056D+01 -0.434739D+00  0.718668D+01 -0.622417D+01
      6  -0.667530D+01  0.997299D+01 -0.672651D+00  0.120112D+02 -0.806745D+01
               136           137           138           139           140 
      1   0.441592D+01  0.455033D+01  0.346721D+01  0.249697D+01 -0.206224D+02
      2  -0.455655D+01 -0.329459D+01 -0.120823D+01 -0.161811D+01  0.197285D+02
      3   0.140630D+00 -0.125574D+01 -0.225898D+01 -0.878855D+00  0.893957D+00
      4   0.501089D+01  0.557730D+01  0.521698D+01  0.667992D+01  0.156700D+02
      5   0.357187D+01  0.391988D+01  0.628659D+01  0.351112D+01  0.108710D+02
      6   0.412190D+01  0.255032D+00  0.271173D+00  0.318719D+01  0.231743D+02
               141           142           143           144           145 
      1  -0.133625D+02 -0.118393D+01 -0.225054D+02 -0.284666D+02 -0.265823D+01
      2   0.903756D+01  0.130891D+01  0.124279D+02  0.613581D+01 -0.629008D+00
      3   0.432491D+01 -0.124972D+00  0.100774D+02  0.223308D+02  0.328724D+01
      4   0.107383D+02  0.975512D+01  0.163431D+02  0.159181D+02  0.121797D+01
      5   0.104824D+02  0.100959D+02  0.180186D+02  0.228640D+02 -0.221238D+01
      6   0.217199D+02  0.695380D+01  0.319684D+02  0.363288D+02 -0.205803D+01
               146           147           148           149           150 
      1   0.289787D+01 -0.575862D+01  0.338769D+01 -0.134234D+02  0.991222D+01
      2  -0.262983D+00  0.154180D+01 -0.142318D+01  0.516705D+01  0.350975D+01
      3  -0.263489D+01  0.421682D+01 -0.196450D+01  0.825631D+01 -0.134220D+02
      4  -0.839077D-01  0.861798D+00  0.298149D+00  0.188008D+02 -0.812291D+01
      5  -0.854796D+00  0.394098D+01 -0.346642D+01 -0.530451D+01  0.810232D+01
      6   0.444460D+01 -0.227941D+01  0.314607D+01 -0.227124D+02  0.132056D+02
               151           152           153           154           155 
      1  -0.316714D+01  0.682863D+01 -0.727246D+01  0.251785D+02 -0.454276D+01
      2   0.141544D+01  0.136595D+01 -0.277953D+01 -0.236150D+02  0.363266D+01
      3   0.175170D+01 -0.819458D+01  0.100520D+02 -0.156353D+01  0.910098D+00
      4   0.356721D+00 -0.512920D+01  0.464889D+01 -0.127545D+02  0.947392D+01
      5   0.451315D+01  0.320027D+01 -0.399914D+01 -0.406978D+02  0.997736D+01
      6  -0.183378D+01  0.113235D+02 -0.811627D+01  0.887130D+01 -0.649941D+01
               156           157           158           159           160 
      1  -0.901202D+01 -0.476221D+01  0.272100D+00 -0.602294D+00 -0.662673D+01
      2   0.189512D+02  0.389386D+01 -0.182276D+01 -0.334404D+01  0.148825D+02
      3  -0.993918D+01  0.868347D+00  0.155066D+01  0.394634D+01 -0.825576D+01
      4   0.791099D+01  0.908359D+01 -0.572346D+01 -0.802419D+01  0.569444D+01
      5   0.352596D+02  0.106328D+02 -0.903199D+01 -0.972360D+01  0.271450D+02
      6  -0.687778D+01 -0.590764D+01  0.471595D+01  0.865163D+01 -0.526753D+01
               161           162           163           164           165 
      1  -0.528139D+00  0.150855D+01 -0.117869D+02 -0.101561D+02 -0.142314D+02
      2  -0.220444D+01 -0.164226D+02  0.242287D+01  0.529832D+01  0.564672D+00
      3   0.273258D+01  0.149141D+02  0.936403D+01  0.485774D+01  0.136668D+02
      4  -0.484485D+01 -0.682809D+01  0.181702D-01 -0.122184D+01  0.143608D+00
      5  -0.693234D+01 -0.287154D+02  0.752161D+01  0.476972D+01  0.399313D+01
      6   0.645836D+01  0.740795D+01  0.896583D+01  0.962871D+01  0.689050D+01
               166           167           168           169           170 
      1  -0.900634D+01 -0.141361D+02 -0.102085D+02 -0.746467D+01 -0.589932D+01
      2   0.513677D+01  0.821199D+01  0.443400D+00  0.443947D+00 -0.137181D+00
      3   0.386957D+01  0.592407D+01  0.976508D+01  0.702073D+01  0.603650D+01
      4   0.764354D-01 -0.193475D+01 -0.345099D+01  0.557882D+00 -0.188704D+01
      5   0.674678D+01  0.122050D+01 -0.181881D+01  0.657842D+01  0.849542D-01
      6   0.702252D+01  0.107919D+02  0.108812D+02  0.394134D+01  0.758581D+01
               171           172           173           174           175 
      1  -0.975949D+01  0.513672D+01 -0.503342D+01  0.383168D+01 -0.126294D+01
      2  -0.191637D+01 -0.187569D+01  0.269972D+01 -0.292498D+01  0.425106D+00
      3   0.116759D+02 -0.326103D+01  0.233370D+01 -0.906706D+00  0.837837D+00
      4  -0.156841D+01 -0.867978D+01  0.601894D+01 -0.421174D+01  0.402746D+01
      5   0.560569D+00  0.674829D+01 -0.245269D+01  0.108711D+02 -0.137078D+01
      6   0.707284D+01 -0.332080D+01  0.180998D+01 -0.526016D+01  0.216364D+01
               176           177           178           179           180 
      1  -0.356660D+01  0.323530D+01  0.441978D+01  0.483509D+01 -0.536316D+01
      2   0.282786D+01 -0.420028D+01 -0.363087D+01 -0.628489D+01 -0.781180D+01
      3   0.738741D+00  0.964980D+00 -0.788905D+00  0.144980D+01  0.131750D+02
      4  -0.256186D+01  0.603555D+01 -0.869331D+01  0.122822D+02 -0.146687D+02
      5   0.559991D+01 -0.405783D+01  0.159210D+02 -0.114276D+02  0.393608D+02
      6  -0.522182D+01  0.892159D+01 -0.927838D+01  0.134180D+02 -0.309962D+02
               181           182           183           184           185 
      1  -0.147694D+02 -0.246324D+02 -0.561147D+01 -0.156670D+02 -0.278114D+02
      2   0.155827D+02  0.289202D+02  0.417929D+01  0.160513D+02  0.374810D+02
      3  -0.813235D+00 -0.428778D+01  0.143218D+01 -0.384324D+00 -0.966954D+01
      4   0.521248D+01 -0.740873D+00  0.265588D+01  0.551744D+01 -0.708785D+01
      5  -0.333078D+01 -0.688310D+00 -0.110131D+01 -0.961012D+00 -0.320925D+01
      6   0.329432D+01  0.144382D+01  0.515857D+01  0.971437D+00  0.363004D+01
               186           187           188           189           190 
      1  -0.450611D+01 -0.594691D+01 -0.577461D+01 -0.587277D+01  0.450957D+02
      2   0.574734D+01  0.324057D+01  0.840329D+01  0.499705D+01 -0.116806D+02
      3  -0.124124D+01  0.270634D+01 -0.262869D+01  0.875718D+00 -0.334150D+02
      4  -0.144076D+01  0.380068D+01 -0.412149D+01 -0.228950D+01 -0.481160D+02
      5  -0.311349D+01  0.125104D+01 -0.364173D+01  0.103262D+01 -0.152529D+02
      6   0.642553D+01  0.197421D+01  0.745892D+01  0.162419D+01  0.977462D+01
               191           192           193           194           195 
      1  -0.165907D+02 -0.124350D+02 -0.119219D+02  0.445866D+01  0.115605D+01
      2  -0.150823D+01  0.441733D+01 -0.152321D+01  0.806769D+01  0.326407D+01
      3   0.180989D+02  0.801763D+01  0.134451D+02 -0.125263D+02 -0.442012D+01
      4   0.317368D+02  0.133985D+02  0.238813D+02 -0.204614D+02 -0.852963D+01
      5   0.639657D+01  0.135695D+02  0.520833D+01 -0.605702D+01 -0.436177D+01
      6  -0.532671D+01 -0.911168D+01 -0.409475D+01  0.569894D+01  0.529745D+01
               196           197           198           199           200 
      1  -0.161947D+02  0.305508D+01  0.755543D+01 -0.152933D+01 -0.175995D+01
      2   0.441985D+01  0.512598D+01 -0.331805D+01  0.188575D+01  0.155384D+01
      3   0.117748D+02 -0.818106D+01 -0.423739D+01 -0.356420D+00  0.206111D+00
      4   0.207160D+02 -0.166584D+02 -0.138962D+02 -0.150461D+01  0.175528D+01
      5   0.154487D+02 -0.880102D+01 -0.100968D+02  0.236946D+01 -0.153479D+01
      6  -0.105582D+02  0.772666D+01  0.678812D+01 -0.220296D+00  0.363345D+00
               201           202           203           204           205 
      1   0.149284D+01 -0.211360D+01 -0.310272D+01  0.565962D+01  0.297356D+01
      2  -0.108716D+01 -0.167122D+01  0.357614D+01 -0.318605D+01 -0.283031D+01
      3  -0.405679D+00  0.378482D+01 -0.473420D+00 -0.247357D+01 -0.143251D+00
      4  -0.220541D+01  0.161986D+01 -0.227259D+01  0.324512D+01 -0.243807D+01
      5   0.382400D+01 -0.134328D+01  0.152504D+01 -0.267037D+01  0.357535D+01
      6  -0.388012D+00  0.277358D+00 -0.444728D+01  0.388448D+01 -0.581050D+00
               206           207           208           209           210 
      1   0.600250D+01 -0.676299D+01  0.934015D-01  0.215537D+01 -0.343956D+01
      2  -0.501310D+01  0.132128D+01 -0.143292D+01 -0.101634D+01  0.710546D+00
      3  -0.989409D+00  0.544171D+01  0.133952D+01 -0.113903D+01  0.272901D+01
      4   0.379733D+01 -0.456045D+01  0.195436D+01  0.240376D+01 -0.207891D+01
      5  -0.370244D+01  0.566506D+01 -0.267186D+01 -0.233555D+01  0.482469D+01
      6   0.429581D+01 -0.668910D+01 -0.260477D+01  0.278726D+00  0.469322D-01
               211           212           213           214           215 
      1   0.282646D+01 -0.929440D+01  0.103628D+02 -0.284530D+01  0.989680D+01
      2  -0.375314D+01  0.403599D+01 -0.942449D+00  0.144171D+01 -0.245644D+01
      3   0.926676D+00  0.525841D+01 -0.942037D+01  0.140359D+01 -0.744035D+01
      4   0.398850D+00  0.542245D+01 -0.555201D+01 -0.280444D+01 -0.543466D+01
      5  -0.367407D+01 -0.672995D+01  0.976910D+01  0.332032D+01  0.793693D+01
      6  -0.499879D-01 -0.790272D+01  0.826915D+01  0.162234D+01  0.909393D+01
               216           217           218           219           220 
      1  -0.215021D+02  0.356779D+01 -0.940413D+01  0.481085D+01 -0.105982D+02
      2  -0.315879D+01  0.392581D+00  0.793574D+01 -0.922286D+00  0.498893D+01
      3   0.246609D+02 -0.396037D+01  0.146838D+01 -0.388856D+01  0.560923D+01
      4   0.684447D+01 -0.365987D+01 -0.314393D+01  0.104395D+01  0.718719D+01
      5  -0.185233D+02  0.111064D+01 -0.586736D+00 -0.358867D+01 -0.622681D+01
      6  -0.114052D+02 -0.153267D+01 -0.308583D+01  0.158462D+01  0.141556D+01
               221           222           223           224           225 
      1  -0.219158D+02  0.158854D+01  0.283651D+01  0.826566D+00 -0.655133D+01
      2   0.344621D+02 -0.779631D+00 -0.114340D+01  0.239793D+01  0.315929D+01
      3  -0.125463D+02 -0.808905D+00 -0.169311D+01 -0.322450D+01  0.339204D+01
      4  -0.478720D+02  0.588126D+01  0.189572D+01 -0.258729D+01 -0.338303D+01
      5   0.336133D+01 -0.937602D+01 -0.290966D+00 -0.361780D+01  0.904286D+00
      6  -0.164757D+02  0.737320D+01  0.214622D+00  0.509037D+01 -0.706002D+00
               226           227           228           229           230 
      1  -0.527200D+01  0.421688D+01  0.177140D+02  0.555194D+01 -0.979498D+01
      2  -0.211746D+01 -0.206131D+00  0.360701D+00 -0.224575D+01  0.389636D+01
      3   0.738946D+01 -0.401075D+01 -0.180747D+02 -0.330618D+01  0.589862D+01
      4   0.414502D+01 -0.558623D+01 -0.122770D+01 -0.191296D+01  0.185774D+01
      5   0.181059D+01  0.775326D+00 -0.879284D+01  0.256751D+01  0.466658D+01
      6   0.152934D+01 -0.356366D+01 -0.566133D+00 -0.181656D+01  0.316072D+01
               231           232           233           234           235 
      1  -0.719435D+01  0.175899D+02 -0.562802D+01 -0.260985D+02  0.867348D+02
      2  -0.402758D+01 -0.529705D+01 -0.166450D+01 -0.981162D+01 -0.483577D+02
      3   0.112219D+02 -0.122928D+02  0.729253D+01  0.359101D+02 -0.383770D+02
      4   0.635015D+01 -0.394354D+01  0.732976D+01  0.683554D+01 -0.139480D+02
      5   0.112465D+02  0.142726D+01  0.468726D+01  0.273897D+02  0.437084D+02
      6   0.663527D+01 -0.116378D+01  0.536735D+01  0.247065D+01 -0.137017D+01
               236           237           238           239           240 
      1  -0.372477D+01  0.225290D+02  0.418870D+01  0.665466D+01  0.907211D+00
      2   0.772552D+00 -0.161407D+02 -0.322183D+01 -0.186092D+01 -0.188490D+01
      3   0.295222D+01 -0.638827D+01 -0.966873D+00 -0.479374D+01  0.977692D+00
      4   0.124622D+02 -0.381942D+01  0.109632D+02 -0.311719D+01  0.367313D+01
      5  -0.201899D+01  0.242320D+02  0.263999D+01  0.473698D+01  0.349625D+01
      6   0.381362D+01 -0.182200D+01  0.376102D+01 -0.757140D+00  0.228580D+01
               241           242           243 
      1   0.133560D+02 -0.785329D+00  0.970250D+01
      2  -0.109965D+02 -0.174146D+00 -0.991404D+01
      3  -0.235949D+01  0.959475D+00  0.211538D+00
      4  -0.193272D+01  0.192948D+01 -0.877921D-01
      5   0.189109D+02  0.673854D+00  0.134437D+02
      6  -0.197831D+01  0.184363D+01 -0.478595D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x         -0.142079D+01     -0.361129D+01     -0.120460D+02
   y         -0.559810D+00     -0.142290D+01     -0.474627D+01
   z          0.592931D+00      0.150708D+01      0.502708D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.160911D+03      0.238446D+02      0.265307D+02
   yx         0.713297D+01      0.105700D+01      0.117607D+01
   yy         0.105896D+03      0.156922D+02      0.174600D+02
   zx        -0.302959D+01     -0.448939D+00     -0.499512D+00
   zy        -0.433052D+01     -0.641716D+00     -0.714006D+00
   zz         0.107218D+03      0.158881D+02      0.176779D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133068D+03      0.197186D+02      0.219399D+02
   aniso      0.610201D+02      0.904225D+01      0.100609D+02
   xx         0.171955D+03      0.254810D+02      0.283515D+02
   yx         0.822948D+01      0.121948D+01      0.135686D+01
   yy         0.113157D+03      0.167681D+02      0.186570D+02
   zx        -0.445420D+01     -0.660045D+00     -0.734399D+00
   zy        -0.438430D+01     -0.649686D+00     -0.722873D+00
   zz         0.114091D+03      0.169066D+02      0.188111D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.18569029          2.26617479          3.86341438
     6         -1.52478087          1.59859844          3.15051310
     6         -1.70558151         -0.57666835          1.11415937
     6          0.38071603         -0.92563591         -0.71285071
     6          0.14955821         -0.75020823         -3.22088673
     6          2.22498990         -1.06106902         -5.05935212
     8          1.80303493         -0.84461916         -7.30959806
     6         -3.02243252          3.96209596          2.51982184
     6         -2.72578551         -0.26616487          5.07796658
     6         -2.01488489         -2.48410643          3.32041013
     6          4.86277604         -1.64476468         -4.11112344
     1         -4.76685194         -0.01211955          5.21203914
     1         -1.93490783         -0.26780779          6.98037607
     1         -3.49093476         -0.37252728          0.10074277
     1         -0.21510625         -3.34407215          3.83834488
     1         -3.39927397         -3.98214511          3.04978770
     1          2.29468081          0.59672405          4.35131083
     1          1.19161723          3.51705057          5.50527855
     1          2.14671852          3.24160540          2.31904974
     1         -4.97617711          3.50182413          2.04331605
     1         -2.18976920          4.95447003          0.91073270
     1         -3.04816671          5.26681751          4.12150466
     1          2.22352179         -1.33801290          0.08955930
     1         -1.67030631         -0.34625291         -4.07562234
     1          4.88478415         -3.40901752         -3.04108840
     1          5.53920061         -0.15172936         -2.85746655
     1          6.12509274         -1.80735402         -5.72352153

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163817D+01      0.416382D+01      0.138890D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.115809D+03      0.171612D+02      0.190944D+02
   yx        -0.471416D+01     -0.698566D+00     -0.777259D+00
   yy         0.103563D+03      0.153464D+02      0.170752D+02
   zx        -0.172788D+02     -0.256045D+01     -0.284888D+01
   zy         0.563065D+01      0.834377D+00      0.928369D+00
   zz         0.154654D+03      0.229174D+02      0.254990D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133068D+03      0.197186D+02      0.219399D+02
   aniso      0.610201D+02      0.904225D+01      0.100609D+02
   xx         0.122237D+03      0.181136D+02      0.201541D+02
   yx        -0.468447D+01     -0.694167D+00     -0.772365D+00
   yy         0.110699D+03      0.164039D+02      0.182517D+02
   zx        -0.179691D+02     -0.266274D+01     -0.296270D+01
   zy         0.603179D+01      0.893818D+00      0.994507D+00
   zz         0.166267D+03      0.246382D+02      0.274137D+02

 ----------------------------------------------------------------------
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 YOU WILL NEVER "FIND" TIME FOR ANYTHING.
 IF YOU WANT TIME, YOU MUST MAKE IT.

                        -- CHARLES BIXTON
 Job cpu time:       0 days  9 hours 53 minutes  3.2 seconds.
 Elapsed time:       0 days  1 hours 14 minutes 19.5 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 21:01:54 2021.
